4-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one

Systemtic Name: 4-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-1-(3-pyridinylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CN=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C22H28N4O2S/c1-16-8-11-25(12-9-16)20(27)15-29-21-18-6-2-3-7-19(18)26(22(28)24-21)14-17-5-4-10-23-13-17/h4-5,10,13,16H,2-3,6-9,11-12,14-15H2,1H3