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

Systemtic Name: N6-(2-chloranylpyridin-3-yl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(2-chloro-3-pyridyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-chloro-3-pyridinyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(2-chloropyridin-3-yl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C17H15ClN6O2 MolecularWeight: 370.793

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C17H15ClN6O2/c1-23(10-12-6-3-2-4-7-12)17-14(24(25)26)16(20-11-21-17)22-13-8-5-9-19-15(13)18/h2-9,11H,10H2,1H3,(H,20,21,22)