1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylpyrimidin-2-yl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylpyrimidin-2-yl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylpyrimidin-2-yl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-2-pyrimidinyl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylpyrimidin-2-yl)thiourea Traditional Name: 1-homoveratryl-3-(4-methylpyrimidin-2-yl)thiourea Formula: C16H20N4O2S MolecularWeight: 332.4206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=NC(=NC=C1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H20N4O2S/c1-11-6-8-17-15(19-11)20-16(23)18-9-7-12-4-5-13(21-2)14(10-12)22-3/h4-6,8,10H,7,9H2,1-3H3,(H2,17,18,19,20,23)