4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidine

Systemtic Name: 4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidine Openeye Name: 4-(1-indan-2-yl-3-piperidyl)-2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidine CAS Name: 4-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-2-(2-methoxyethylthio)-5-(3-methoxyphenyl)pyrimidine IUPAC Name: 4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidine Traditional Name: 4-(1-indan-2-yl-3-piperidyl)-2-(2-methoxyethylthio)-5-(3-methoxyphenyl)pyrimidine Formula: C28H33N3O2S MolecularWeight: 475.64552

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NC=C(C(=N1)C2CCCN(C2)C3CC4=CC=CC=C4C3)C5=CC(=CC=C5)OC

Isomeric SMILES

COCCSC1=NC=C(C(=N1)C2CCCN(C2)C3CC4=CC=CC=C4C3)C5=CC(=CC=C5)OC

InChI

InChI=1S/C28H33N3O2S/c1-32-13-14-34-28-29-18-26(22-9-5-11-25(17-22)33-2)27(30-28)23-10-6-12-31(19-23)24-15-20-7-3-4-8-21(20)16-24/h3-5,7-9,11,17-18,23-24H,6,10,12-16,19H2,1-2H3