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

Systemtic Name: N4-(3-chlorophenyl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-N6-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-N6-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]-(3-morpholinopropyl)amine Formula: C17H21ClN6O3 MolecularWeight: 392.84004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN6O3/c18-13-3-1-4-14(11-13)22-17-15(24(25)26)16(20-12-21-17)19-5-2-6-23-7-9-27-10-8-23/h1,3-4,11-12H,2,5-10H2,(H2,19,20,21,22)