6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-(2-indolin-1-yl-2-oxo-ethyl)-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-(2-indolin-1-yl-2-keto-ethyl)-2-(m-anisylthio)-1H-pyrimidin-4-one Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O3S/c1-28-18-7-4-5-15(11-18)14-29-22-23-17(12-20(26)24-22)13-21(27)25-10-9-16-6-2-3-8-19(16)25/h2-8,11-12H,9-10,13-14H2,1H3,(H,23,24,26)