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

Systemtic Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylmethyl)carbamimidoyl]-3-phenyl-thiourea Openeye Name: 1-[N'-benzyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-phenyl-thiourea CAS Name: 1-[[(4,6-dimethyl-2-pyrimidinyl)amino]-(phenylmethyl)iminomethyl]-3-phenylthiourea IUPAC Name: 1-[N'-benzyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-phenylthiourea Traditional Name: 1-[N'-benzyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]-3-phenyl-thiourea Formula: C21H22N6S MolecularWeight: 390.50458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NCC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NCC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N6S/c1-15-13-16(2)24-20(23-15)26-19(22-14-17-9-5-3-6-10-17)27-21(28)25-18-11-7-4-8-12-18/h3-13H,14H2,1-2H3,(H3,22,23,24,25,26,27,28)