2-(1H-indol-5-ylsulfanyl)-5-methyl-6-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-(1H-indol-5-ylsulfanyl)-5-methyl-6-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-benzyl-2-(1H-indol-5-ylsulfanyl)-5-methyl-1H-pyrimidin-4-one CAS Name: 2-(1H-indol-5-ylthio)-5-methyl-6-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-2-(1H-indol-5-ylsulfanyl)-5-methyl-1H-pyrimidin-4-one Traditional Name: 6-benzyl-2-(1H-indol-5-ylthio)-5-methyl-1H-pyrimidin-4-one Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SC2=CC3=C(C=C2)NC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(NC(=NC1=O)SC2=CC3=C(C=C2)NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H17N3OS/c1-13-18(11-14-5-3-2-4-6-14)22-20(23-19(13)24)25-16-7-8-17-15(12-16)9-10-21-17/h2-10,12,21H,11H2,1H3,(H,22,23,24)