[1-[4-[(3,5-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidin-4-yl]methyl pyridine-4-carboxylate

Systemtic Name: [1-[4-[(3,5-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]phenyl]carbonylpiperidin-4-yl]methyl pyridine-4-carboxylate Openeye Name: [1-[4-[(3,5-dimethyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoyl]-4-piperidyl]methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-[[4-[[(3,5-dimethyl-4-oxo-2-quinazolinyl)thio]methyl]phenyl]-oxomethyl]-4-piperidinyl]methyl ester IUPAC Name: [1-[4-[(3,5-dimethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoyl]piperidin-4-yl]methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid [1-[4-[[(4-keto-3,5-dimethyl-quinazolin-2-yl)thio]methyl]benzoyl]-4-piperidyl]methyl ester Formula: C30H30N4O4S MolecularWeight: 542.6486

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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)COC(=O)C5=CC=NC=C5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)N4CCC(CC4)COC(=O)C5=CC=NC=C5

InChI

InChI=1S/C30H30N4O4S/c1-20-4-3-5-25-26(20)28(36)33(2)30(32-25)39-19-22-6-8-23(9-7-22)27(35)34-16-12-21(13-17-34)18-38-29(37)24-10-14-31-15-11-24/h3-11,14-15,21H,12-13,16-19H2,1-2H3