3-methyl-5-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 3-methyl-5-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-isopropyl-3-methyl-5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 3-methyl-5-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 3-methyl-5-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-isopropyl-5-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H23N5O3S MolecularWeight: 401.48262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC(=O)C3=CC=CN3)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC(=O)C3=CC=CN3)C(=O)N(C1=O)C

InChI

InChI=1S/C19H23N5O3S/c1-5-9-24-16-14(18(26)23(4)19(24)27)17(22-15(21-16)11(2)3)28-10-13(25)12-7-6-8-20-12/h6-8,11,20H,5,9-10H2,1-4H3