1-(pyridin-4-ylmethyl)-4-(pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinazolin-2-one

Systemtic Name: 1-(pyridin-4-ylmethyl)-4-(pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 1-(4-pyridylmethyl)-4-(3-pyridylmethylsulfanyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 1-(pyridin-4-ylmethyl)-4-(3-pyridinylmethylthio)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 1-(pyridin-4-ylmethyl)-4-(pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 1-(4-pyridylmethyl)-4-(3-pyridylmethylthio)-5,6,7,8-tetrahydroquinazolin-2-one Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4OS/c25-20-23-19(26-14-16-4-3-9-22-12-16)17-5-1-2-6-18(17)24(20)13-15-7-10-21-11-8-15/h3-4,7-12H,1-2,5-6,13-14H2