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

Systemtic Name: 3-methyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-isopropyl-3-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 3-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 3-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-isopropyl-5-[(4-keto-1H-quinazolin-2-yl)methylthio]-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC3=NC(=O)C4=CC=CC=C4N3)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC3=NC(=O)C4=CC=CC=C4N3)C(=O)N(C1=O)C

InChI

InChI=1S/C22H24N6O3S/c1-5-10-28-18-16(21(30)27(4)22(28)31)20(26-17(25-18)12(2)3)32-11-15-23-14-9-7-6-8-13(14)19(29)24-15/h6-9,12H,5,10-11H2,1-4H3,(H,23,24,29)