1-[(4,6-dimethylpyrimidin-2-yl)-[(3,5-dinitrophenyl)methyl]amino]-3-methyl-thiourea

Systemtic Name: 1-[(4,6-dimethylpyrimidin-2-yl)-[(3,5-dinitrophenyl)methyl]amino]-3-methyl-thiourea Openeye Name: 1-[(4,6-dimethylpyrimidin-2-yl)-[(3,5-dinitrophenyl)methyl]amino]-3-methyl-thiourea CAS Name: 1-[(4,6-dimethyl-2-pyrimidinyl)-[(3,5-dinitrophenyl)methyl]amino]-3-methylthiourea IUPAC Name: 1-[(4,6-dimethylpyrimidin-2-yl)-[(3,5-dinitrophenyl)methyl]amino]-3-methylthiourea Traditional Name: 1-[(4,6-dimethylpyrimidin-2-yl)-(3,5-dinitrobenzyl)amino]-3-methyl-thiourea Formula: C15H17N7O4S MolecularWeight: 391.40498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N7O4S/c1-9-4-10(2)18-14(17-9)20(19-15(27)16-3)8-11-5-12(21(23)24)7-13(6-11)22(25)26/h4-7H,8H2,1-3H3,(H2,16,19,27)