Name: Name:7-tert-butyl-1,3-dimethyl-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
Brand: Angene
SKU: AG019IHM
Rating: 90 (10 reviews)

7-tert-butyl-1,3-dimethyl-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

CAS No.:

730949-90-3

Catalog Number:

AG019IHM

Molecular Formula:

C12H16N4O2S

Molecular Weight:

280.3460

Catalog Number:

AG019IHM

Chemical Name:

7-tert-butyl-1,3-dimethyl-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

CAS Number:

730949-90-3

Molecular Formula:

C12H16N4O2S

Molecular Weight:

280.3460

MDL Number:

MFCD04621489

IUPAC Name:

7-tert-butyl-1,3-dimethyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione

InChI:

InChI=1S/C12H16N4O2S/c1-12(2,3)10-13-7-6(8(19)14-10)9(17)16(5)11(18)15(7)4/h1-5H3,(H,13,14,19)

InChI Key:

NXKJFKZBSPLWDD-UHFFFAOYSA-N

SMILES:

Sc1nc(nc2c1c(=O)n(c(=O)n2C)C)C(C)(C)C

Complexity:

557

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.346g/mol

Monoisotopic Mass:

280.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6