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

Systemtic Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]-3-phenyl-thiourea Openeye Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-(3-pyridylmethyl)carbamimidoyl]-3-phenyl-thiourea CAS Name: 1-[[(4,6-dimethyl-2-pyrimidinyl)amino]-(3-pyridinylmethylimino)methyl]-3-phenylthiourea IUPAC Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]-3-phenylthiourea Traditional Name: 1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-(3-pyridylmethyl)amidino]-3-phenyl-thiourea Formula: C20H21N7S MolecularWeight: 391.49264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7S/c1-14-11-15(2)24-19(23-14)26-18(22-13-16-7-6-10-21-12-16)27-20(28)25-17-8-4-3-5-9-17/h3-12H,13H2,1-2H3,(H3,22,23,24,25,26,27,28)