5-ethyl-4-propan-2-yloxy-2-propan-2-ylsulfanyl-6-[(3-prop-2-enoxyphenyl)methyl]pyrimidine

Systemtic Name: 5-ethyl-4-propan-2-yloxy-2-propan-2-ylsulfanyl-6-[(3-prop-2-enoxyphenyl)methyl]pyrimidine Openeye Name: 4-[(3-allyloxyphenyl)methyl]-5-ethyl-6-isopropoxy-2-isopropylsulfanyl-pyrimidine CAS Name: 5-ethyl-4-propan-2-yloxy-2-(propan-2-ylthio)-6-[(3-prop-2-enoxyphenyl)methyl]pyrimidine IUPAC Name: 5-ethyl-4-propan-2-yloxy-2-propan-2-ylsulfanyl-6-[(3-prop-2-enoxyphenyl)methyl]pyrimidine Traditional Name: 4-(3-allyloxybenzyl)-5-ethyl-6-isopropoxy-2-(isopropylthio)pyrimidine Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1OC(C)C)SC(C)C)CC2=CC(=CC=C2)OCC=C

Isomeric SMILES

CCC1=C(N=C(N=C1OC(C)C)SC(C)C)CC2=CC(=CC=C2)OCC=C

InChI

InChI=1S/C22H30N2O2S/c1-7-12-25-18-11-9-10-17(13-18)14-20-19(8-2)21(26-15(3)4)24-22(23-20)27-16(5)6/h7,9-11,13,15-16H,1,8,12,14H2,2-6H3