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

Systemtic Name: 1-cyclopentyl-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-carbamimidoyl]thiourea Openeye Name: 1-cyclopentyl-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-carbamimidoyl]thiourea CAS Name: 1-cyclopentyl-3-[[(4,6-dimethyl-2-pyrimidinyl)amino]-phenethyliminomethyl]thiourea IUPAC Name: 1-cyclopentyl-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethylcarbamimidoyl]thiourea Traditional Name: 1-cyclopentyl-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-phenethyl-amidino]thiourea Formula: C21H28N6S MolecularWeight: 396.55222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NCCC2=CC=CC=C2)NC(=S)NC3CCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=NCCC2=CC=CC=C2)NC(=S)NC3CCCC3)C

InChI

InChI=1S/C21H28N6S/c1-15-14-16(2)24-20(23-15)26-19(22-13-12-17-8-4-3-5-9-17)27-21(28)25-18-10-6-7-11-18/h3-5,8-9,14,18H,6-7,10-13H2,1-2H3,(H3,22,23,24,25,26,27,28)