4-[1-[(2-chloranyl-4,5-dimethoxy-phenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine

Systemtic Name: 4-[1-[(2-chloranyl-4,5-dimethoxy-phenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Openeye Name: 4-[1-[(2-chloro-4,5-dimethoxy-phenyl)methyl]-3-piperidyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine CAS Name: 4-[1-[(2-chloro-4,5-dimethoxyphenyl)methyl]-3-piperidinyl]-2-[2-(1-pyrrolidinyl)ethylthio]pyrimidine IUPAC Name: 4-[1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Traditional Name: 4-[1-(2-chloro-4,5-dimethoxy-benzyl)-3-piperidyl]-2-(2-pyrrolidinoethylthio)pyrimidine Formula: C24H33ClN4O2S MolecularWeight: 477.06242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4)Cl)OC

InChI

InChI=1S/C24H33ClN4O2S/c1-30-22-14-19(20(25)15-23(22)31-2)17-29-11-5-6-18(16-29)21-7-8-26-24(27-21)32-13-12-28-9-3-4-10-28/h7-8,14-15,18H,3-6,9-13,16-17H2,1-2H3