4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one

Systemtic Name: 4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1-(2-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1-(2-pyridinylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-[(2-keto-2-piperidino-ethyl)thio]-1-(2-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=CC=N4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=CC=N4

InChI

InChI=1S/C21H26N4O2S/c26-19(24-12-6-1-7-13-24)15-28-20-17-9-2-3-10-18(17)25(21(27)23-20)14-16-8-4-5-11-22-16/h4-5,8,11H,1-3,6-7,9-10,12-15H2