Name: Name:2-[(2-Hydroxyethyl)amino]-9-methyl-3-[[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]methyl]-4H-pyrido[1,2-
Brand: Angene
SKU: AG01EVQP
Rating: 90 (10 reviews)

2-[(2-Hydroxyethyl)amino]-9-methyl-3-[[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]methyl]-4H-pyrido[1,2-

CAS No.:

374094-29-8

Catalog Number:

AG01EVQP

Molecular Formula:

C18H18N4O3S2

Molecular Weight:

402.4905

Catalog Number:

AG01EVQP

Chemical Name:

2-[(2-Hydroxyethyl)amino]-9-methyl-3-[[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]methyl]-4H-pyrido[1,2-

CAS Number:

374094-29-8

Molecular Formula:

C18H18N4O3S2

Molecular Weight:

402.4905

IUPAC Name:

(5Z)-5-[[2-(2-hydroxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

InChI:

InChI=1S/C18H18N4O3S2/c1-3-7-22-17(25)13(27-18(22)26)10-12-14(19-6-9-23)20-15-11(2)5-4-8-21(15)16(12)24/h3-5,8,10,19,23H,1,6-7,9H2,2H3/b13-10-

InChI Key:

ILPXZKUFWOEVDL-RAXLEYEMSA-N

SMILES:

OCCNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CC=C

Complexity:

883

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

402.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

402.487g/mol

Monoisotopic Mass:

402.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

143A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7