2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one

Systemtic Name: 2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-3-propyl-4-quinazolinone IUPAC Name: 2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 2-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]-3-propyl-quinazolin-4-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

InChI

InChI=1S/C21H20N4O2S/c1-3-11-25-20(27)14-8-4-5-10-16(14)22-21(25)28-12-17-23-18-13(2)7-6-9-15(18)19(26)24-17/h4-10H,3,11-12H2,1-2H3,(H,23,24,26)