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

Systemtic Name: 1-[(2,6-dimethylpyrimidin-4-yl)-methyl-amino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(2,6-dimethylpyrimidin-4-yl)-methyl-amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[(2,6-dimethyl-4-pyrimidinyl)-methylamino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(2,6-dimethylpyrimidin-4-yl)-methyl-amino]-3-(4-nitrophenyl)thiourea Formula: C14H16N6O2S MolecularWeight: 332.38084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)N(C)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C)N(C)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O2S/c1-9-8-13(16-10(2)15-9)19(3)18-14(23)17-11-4-6-12(7-5-11)20(21)22/h4-8H,1-3H3,(H2,17,18,23)