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

Systemtic Name: 1-(pyridin-4-ylmethyl)-4-(pyridin-2-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 1-(4-pyridylmethyl)-4-(2-pyridylmethylsulfanyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 1-(pyridin-4-ylmethyl)-4-(2-pyridinylmethylthio)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 1-(pyridin-4-ylmethyl)-4-(pyridin-2-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 1-(4-pyridylmethyl)-4-(2-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=CC=CC=N4

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=NC=C3)SCC4=CC=CC=N4

InChI

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