N6-[(4-chlorophenyl)methyl]-5-nitro-N4-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-chlorophenyl)methyl]-5-nitro-N4-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-[(4-chlorophenyl)methyl]-5-nitro-N4-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N6-[(4-chlorophenyl)methyl]-5-nitro-N4-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-chlorophenyl)methyl]-5-nitro-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C17H15ClN6O2 MolecularWeight: 370.793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN6O2/c18-14-5-3-12(4-6-14)9-20-16-15(24(25)26)17(23-11-22-16)21-10-13-2-1-7-19-8-13/h1-8,11H,9-10H2,(H2,20,21,22,23)