N6-(3-morpholin-4-ylpropyl)-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(3-morpholin-4-ylpropyl)-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N6-(3-morpholinopropyl)-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N6-[3-(4-morpholinyl)propyl]-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-morpholin-4-ylpropyl)-5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: 3-morpholinopropyl-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C17H21N7O5 MolecularWeight: 403.39254

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N7O5/c25-23(26)14-4-1-3-13(11-14)21-17-15(24(27)28)16(19-12-20-17)18-5-2-6-22-7-9-29-10-8-22/h1,3-4,11-12H,2,5-10H2,(H2,18,19,20,21)