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

Systemtic Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-phenylazanylphenyl)thiourea Openeye Name: 1-(4-anilinophenyl)-3-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea CAS Name: 1-(4-anilinophenyl)-3-[cyclopentylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]thiourea IUPAC Name: 1-(4-anilinophenyl)-3-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]thiourea Traditional Name: 1-(4-anilinophenyl)-3-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]thiourea Formula: C25H29N7S MolecularWeight: 459.60966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NC2CCCC2)NC(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NC2CCCC2)NC(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4)C

InChI

InChI=1S/C25H29N7S/c1-17-16-18(2)27-23(26-17)31-24(29-20-10-6-7-11-20)32-25(33)30-22-14-12-21(13-15-22)28-19-8-4-3-5-9-19/h3-5,8-9,12-16,20,28H,6-7,10-11H2,1-2H3,(H3,26,27,29,30,31,32,33)