1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(2,5-dimethoxyphenyl)thiourea

Systemtic Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(2,5-dimethoxyphenyl)thiourea Openeye Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(2,5-dimethoxyphenyl)thiourea CAS Name: 1-[cyclopentylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-3-(2,5-dimethoxyphenyl)thiourea IUPAC Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(2,5-dimethoxyphenyl)thiourea Traditional Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]-3-(2,5-dimethoxyphenyl)thiourea Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O2S/c1-13-11-14(2)23-19(22-13)26-20(24-15-7-5-6-8-15)27-21(30)25-17-12-16(28-3)9-10-18(17)29-4/h9-12,15H,5-8H2,1-4H3,(H3,22,23,24,25,26,27,30)