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

Systemtic Name: methyl N-[(4,6-dimethylpyrimidin-2-yl)-[(4-nitrophenyl)methyl]amino]-N'-methyl-carbamimidothioate Openeye Name: 1-[(4,6-dimethylpyrimidin-2-yl)-[(4-nitrophenyl)methyl]amino]-2,3-dimethyl-isothiourea CAS Name: N-[(4,6-dimethyl-2-pyrimidinyl)-[(4-nitrophenyl)methyl]amino]-N'-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(4,6-dimethylpyrimidin-2-yl)-[(4-nitrophenyl)methyl]amino]-N'-methylcarbamimidothioate Traditional Name: 1-[(4,6-dimethylpyrimidin-2-yl)-(4-nitrobenzyl)amino]-2,3-dimethyl-isothiourea Formula: C16H20N6O2S MolecularWeight: 360.434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N(CC2=CC=C(C=C2)[N+](=O)[O-])NC(=NC)SC)C

Isomeric SMILES

CC1=CC(=NC(=N1)N(CC2=CC=C(C=C2)[N+](=O)[O-])NC(=NC)SC)C

InChI

InChI=1S/C16H20N6O2S/c1-11-9-12(2)19-15(18-11)21(20-16(17-3)25-4)10-13-5-7-14(8-6-13)22(23)24/h5-9H,10H2,1-4H3,(H,17,20)