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

Systemtic Name: 5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-N6-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-N4-(2-pyridyl)-N6-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)-N6-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-4-N-pyridin-2-yl-6-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]-(2-pyridyl)amine Formula: C21H17N7O2 MolecularWeight: 399.40538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CN=CC=C4

InChI

InChI=1S/C21H17N7O2/c29-28(30)19-20(26-17-9-6-11-22-13-17)24-15-25-21(19)27(18-10-4-5-12-23-18)14-16-7-2-1-3-8-16/h1-13,15H,14H2,(H,24,25,26)