N6-(4,5-dimethyl-1,3-thiazol-2-yl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(4,5-dimethyl-1,3-thiazol-2-yl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(4,5-dimethylthiazol-2-yl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4,5-dimethyl-2-thiazolyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N6O2S/c1-11-12(2)26-17(20-11)21-15-14(23(24)25)16(19-10-18-15)22(3)9-13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3,(H,18,19,20,21)