5-nitro-N4-(3-nitrophenyl)-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(3-nitrophenyl)-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(3-nitrophenyl)-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(3-nitrophenyl)-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(3-nitrophenyl)-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C17H21N7O4 MolecularWeight: 387.39314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N7O4/c25-23(26)14-6-4-5-13(11-14)21-17-15(24(27)28)16(19-12-20-17)18-7-10-22-8-2-1-3-9-22/h4-6,11-12H,1-3,7-10H2,(H2,18,19,20,21)