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

Systemtic Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[cyclopentylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[N'-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)amidino]-3-p-phenetyl-thiourea Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC(=NC2CCCC2)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC(=NC2CCCC2)NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H28N6OS/c1-4-28-18-11-9-17(10-12-18)25-21(29)27-20(24-16-7-5-6-8-16)26-19-22-14(2)13-15(3)23-19/h9-13,16H,4-8H2,1-3H3,(H3,22,23,24,25,26,27,29)