N4-(4-chlorophenyl)-N2-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(4-chlorophenyl)-N2-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(4-chlorophenyl)-N2-(3-morpholinopropyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(4-chlorophenyl)-N2-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-chlorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(4-chloroanilino)-5-nitro-pyrimidin-2-yl]-(3-morpholinopropyl)amine Formula: C17H22ClN7O3 MolecularWeight: 407.85468

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC(=C(C(=N2)NC3=CC=C(C=C3)Cl)[N+](=O)[O-])N

Isomeric SMILES

C1COCCN1CCCNC2=NC(=C(C(=N2)NC3=CC=C(C=C3)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C17H22ClN7O3/c18-12-2-4-13(5-3-12)21-16-14(25(26)27)15(19)22-17(23-16)20-6-1-7-24-8-10-28-11-9-24/h2-5H,1,6-11H2,(H4,19,20,21,22,23)