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

Systemtic Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-[(2-indolin-1-yl-2-keto-ethyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)N2CCC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)N2CCC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-15-18(13-16-7-3-2-4-8-16)21(27)24-22(23-15)28-14-20(26)25-12-11-17-9-5-6-10-19(17)25/h2-10H,11-14H2,1H3,(H,23,24,27)