4-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine

Systemtic Name: 4-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Openeye Name: 4-[1-[(2-allyloxyphenyl)methyl]-3-piperidyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine CAS Name: 4-[1-[(2-prop-2-enoxyphenyl)methyl]-3-piperidinyl]-2-[2-(1-pyrrolidinyl)ethylthio]pyrimidine IUPAC Name: 4-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Traditional Name: 4-[1-(2-allyloxybenzyl)-3-piperidyl]-2-(2-pyrrolidinoethylthio)pyrimidine Formula: C25H34N4OS MolecularWeight: 438.62866

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4

Isomeric SMILES

C=CCOC1=CC=CC=C1CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4

InChI

InChI=1S/C25H34N4OS/c1-2-17-30-24-10-4-3-8-22(24)20-29-15-7-9-21(19-29)23-11-12-26-25(27-23)31-18-16-28-13-5-6-14-28/h2-4,8,10-12,21H,1,5-7,9,13-20H2