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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=NC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=NC=C4

InChI

InChI=1S/C22H28N4O2S/c27-20(25-13-5-1-2-6-14-25)16-29-21-18-7-3-4-8-19(18)26(22(28)24-21)15-17-9-11-23-12-10-17/h9-12H,1-8,13-16H2