Name: Name:7-hexyl-3-methyl-1-propyl-5-sulfanyl-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazine-2,4-dione
Brand: Angene
SKU: AG019ISH
Rating: 90 (10 reviews)

7-hexyl-3-methyl-1-propyl-5-sulfanyl-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazine-2,4-dione

CAS No.:

851169-18-1

Catalog Number:

AG019ISH

Molecular Formula:

C16H24N4O2S

Molecular Weight:

336.4524

Catalog Number:

AG019ISH

Chemical Name:

7-hexyl-3-methyl-1-propyl-5-sulfanyl-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazine-2,4-dione

CAS Number:

851169-18-1

Molecular Formula:

C16H24N4O2S

Molecular Weight:

336.4524

MDL Number:

MFCD06654969

IUPAC Name:

7-hexyl-3-methyl-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione

InChI:

InChI=1S/C16H24N4O2S/c1-4-6-7-8-9-11-17-13-12(14(23)18-11)15(21)19(3)16(22)20(13)10-5-2/h4-10H2,1-3H3,(H,17,18,23)

InChI Key:

ITVCTLHRFFWAGS-UHFFFAOYSA-N

SMILES:

CCCCCCc1nc(S)c2c(n1)n(CCC)c(=O)n(c2=O)C

Complexity:

583

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

336.162g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

336.454g/mol

Monoisotopic Mass:

336.162g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5