4-(phenylmethylsulfanyl)-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one

Systemtic Name: 4-(phenylmethylsulfanyl)-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-benzylsulfanyl-1-(4-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-(phenylmethylthio)-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-benzylsulfanyl-1-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-(benzylthio)-1-(4-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=NC=C3)SCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=NC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c25-21-23-20(26-15-17-6-2-1-3-7-17)18-8-4-5-9-19(18)24(21)14-16-10-12-22-13-11-16/h1-3,6-7,10-13H,4-5,8-9,14-15H2