2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one Openeye Name: 2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-5,6-dimethyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-5,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 2-[(2-indolin-1-yl-2-keto-ethyl)thio]-5,6-dimethyl-1H-pyrimidin-4-one Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)N2CCC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(=O)N2CCC3=CC=CC=C32)C

InChI

InChI=1S/C16H17N3O2S/c1-10-11(2)17-16(18-15(10)21)22-9-14(20)19-8-7-12-5-3-4-6-13(12)19/h3-6H,7-9H2,1-2H3,(H,17,18,21)