5-ethyl-4-(2-methylpropoxy)-2-(2-methylpropylsulfanyl)-6-[(3-prop-2-enoxyphenyl)methyl]pyrimidine

Systemtic Name: 5-ethyl-4-(2-methylpropoxy)-2-(2-methylpropylsulfanyl)-6-[(3-prop-2-enoxyphenyl)methyl]pyrimidine Openeye Name: 4-[(3-allyloxyphenyl)methyl]-5-ethyl-6-isobutoxy-2-isobutylsulfanyl-pyrimidine CAS Name: 5-ethyl-4-(2-methylpropoxy)-2-(2-methylpropylthio)-6-[(3-prop-2-enoxyphenyl)methyl]pyrimidine IUPAC Name: 5-ethyl-4-(2-methylpropoxy)-2-(2-methylpropylsulfanyl)-6-[(3-prop-2-enoxyphenyl)methyl]pyrimidine Traditional Name: 4-(3-allyloxybenzyl)-5-ethyl-6-isobutoxy-2-(isobutylthio)pyrimidine Formula: C24H34N2O2S MolecularWeight: 414.60396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1OCC(C)C)SCC(C)C)CC2=CC(=CC=C2)OCC=C

Isomeric SMILES

CCC1=C(N=C(N=C1OCC(C)C)SCC(C)C)CC2=CC(=CC=C2)OCC=C

InChI

InChI=1S/C24H34N2O2S/c1-7-12-27-20-11-9-10-19(13-20)14-22-21(8-2)23(28-15-17(3)4)26-24(25-22)29-16-18(5)6/h7,9-11,13,17-18H,1,8,12,14-16H2,2-6H3