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

Systemtic Name: 7-hexyl-3-methyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-hexyl-3-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-hexyl-3-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-hexyl-3-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-hexyl-5-[(4-keto-1H-quinazolin-2-yl)methylthio]-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C25H30N6O3S MolecularWeight: 494.6091

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(C(=N1)SCC3=NC(=O)C4=CC=CC=C4N3)C(=O)N(C(=O)N2CCC)C

Isomeric SMILES

CCCCCCC1=NC2=C(C(=N1)SCC3=NC(=O)C4=CC=CC=C4N3)C(=O)N(C(=O)N2CCC)C

InChI

InChI=1S/C25H30N6O3S/c1-4-6-7-8-13-18-27-21-20(24(33)30(3)25(34)31(21)14-5-2)23(29-18)35-15-19-26-17-12-10-9-11-16(17)22(32)28-19/h9-12H,4-8,13-15H2,1-3H3,(H,26,28,32)