methyl N-[(4,6-dimethylpyrimidin-2-yl)-pentyl-amino]-N'-phenyl-carbamimidothioate

Systemtic Name: methyl N-[(4,6-dimethylpyrimidin-2-yl)-pentyl-amino]-N'-phenyl-carbamimidothioate Openeye Name: 1-[(4,6-dimethylpyrimidin-2-yl)-pentyl-amino]-2-methyl-3-phenyl-isothiourea CAS Name: N-[(4,6-dimethyl-2-pyrimidinyl)-pentylamino]-N'-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(4,6-dimethylpyrimidin-2-yl)-pentylamino]-N'-phenylcarbamimidothioate Traditional Name: 1-[amyl-(4,6-dimethylpyrimidin-2-yl)amino]-2-methyl-3-phenyl-isothiourea Formula: C19H27N5S MolecularWeight: 357.51618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=CC(=N1)C)C)NC(=NC2=CC=CC=C2)SC

Isomeric SMILES

CCCCCN(C1=NC(=CC(=N1)C)C)NC(=NC2=CC=CC=C2)SC

InChI

InChI=1S/C19H27N5S/c1-5-6-10-13-24(18-20-15(2)14-16(3)21-18)23-19(25-4)22-17-11-8-7-9-12-17/h7-9,11-12,14H,5-6,10,13H2,1-4H3,(H,22,23)