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

Systemtic Name: 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-(4-nitrophenyl)thiourea Formula: C13H14N6O2S MolecularWeight: 318.35426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N6O2S/c1-8-7-9(2)15-12(14-8)17-18-13(22)16-10-3-5-11(6-4-10)19(20)21/h3-7H,1-2H3,(H,14,15,17)(H2,16,18,22)