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

Systemtic Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-carbamimidoyl]-3-(2-ethylphenyl)thiourea Openeye Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-carbamimidoyl]-3-(2-ethylphenyl)thiourea CAS Name: 1-[[(4,6-dimethyl-2-pyrimidinyl)amino]-phenethyliminomethyl]-3-(2-ethylphenyl)thiourea IUPAC Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethylcarbamimidoyl]-3-(2-ethylphenyl)thiourea Traditional Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-amidino]-3-(2-ethylphenyl)thiourea Formula: C24H28N6S MolecularWeight: 432.58432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NC(=NCCC2=CC=CC=C2)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NC(=NCCC2=CC=CC=C2)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C24H28N6S/c1-4-20-12-8-9-13-21(20)28-24(31)30-22(25-15-14-19-10-6-5-7-11-19)29-23-26-17(2)16-18(3)27-23/h5-13,16H,4,14-15H2,1-3H3,(H3,25,26,27,28,29,30,31)