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

Systemtic Name: methyl N-[(4,6-dimethylpyrimidin-2-yl)-(phenylmethyl)amino]-N'-phenyl-carbamimidothioate Openeye Name: 1-[benzyl-(4,6-dimethylpyrimidin-2-yl)amino]-2-methyl-3-phenyl-isothiourea CAS Name: N-[(4,6-dimethyl-2-pyrimidinyl)-(phenylmethyl)amino]-N'-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[benzyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-phenylcarbamimidothioate Traditional Name: 1-[benzyl-(4,6-dimethylpyrimidin-2-yl)amino]-2-methyl-3-phenyl-isothiourea Formula: C21H23N5S MolecularWeight: 377.50582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N(CC2=CC=CC=C2)NC(=NC3=CC=CC=C3)SC)C

Isomeric SMILES

CC1=CC(=NC(=N1)N(CC2=CC=CC=C2)NC(=NC3=CC=CC=C3)SC)C

InChI

InChI=1S/C21H23N5S/c1-16-14-17(2)23-20(22-16)26(15-18-10-6-4-7-11-18)25-21(27-3)24-19-12-8-5-9-13-19/h4-14H,15H2,1-3H3,(H,24,25)