2-[[4-[4-(hydroxymethyl)piperidin-1-yl]carbonylphenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one

Systemtic Name: 2-[[4-[4-(hydroxymethyl)piperidin-1-yl]carbonylphenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one Openeye Name: 2-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one CAS Name: 2-[[4-[[4-(hydroxymethyl)-1-piperidinyl]-oxomethyl]phenyl]methylthio]-3,5-dimethyl-4-quinazolinone IUPAC Name: 2-[[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methylsulfanyl]-3,5-dimethylquinazolin-4-one Traditional Name: 3,5-dimethyl-2-[[4-(4-methylolpiperidine-1-carbonyl)benzyl]thio]quinazolin-4-one Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)N4CCC(CC4)CO

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)N4CCC(CC4)CO

InChI

InChI=1S/C24H27N3O3S/c1-16-4-3-5-20-21(16)23(30)26(2)24(25-20)31-15-18-6-8-19(9-7-18)22(29)27-12-10-17(14-28)11-13-27/h3-9,17,28H,10-15H2,1-2H3