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

Systemtic Name: N6-(2-morpholin-4-ylethyl)-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N6-(2-morpholinoethyl)-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(4-morpholinyl)ethyl]-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(2-morpholin-4-ylethyl)-5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: 2-morpholinoethyl-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C16H19N7O5 MolecularWeight: 389.36596

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N7O5/c24-22(25)13-3-1-2-12(10-13)20-16-14(23(26)27)15(18-11-19-16)17-4-5-21-6-8-28-9-7-21/h1-3,10-11H,4-9H2,(H2,17,18,19,20)