2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1CCCC2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=NC(=NC2=C1CCCC2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H18N4OS/c1-11-12-6-2-4-8-14(12)21-18(19-11)24-10-16-20-15-9-5-3-7-13(15)17(23)22-16/h3,5,7,9H,2,4,6,8,10H2,1H3,(H,20,22,23)