1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-carbamimidoyl]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-carbamimidoyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-carbamimidoyl]-3-(o-tolyl)thiourea CAS Name: 1-[[(4,6-dimethyl-2-pyrimidinyl)amino]-phenethyliminomethyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethylcarbamimidoyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-amidino]-3-(o-tolyl)thiourea Formula: C23H26N6S MolecularWeight: 418.55774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=NCCC2=CC=CC=C2)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=NCCC2=CC=CC=C2)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C23H26N6S/c1-16-9-7-8-12-20(16)27-23(30)29-21(24-14-13-19-10-5-4-6-11-19)28-22-25-17(2)15-18(3)26-22/h4-12,15H,13-14H2,1-3H3,(H3,24,25,26,27,28,29,30)