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

Systemtic Name: N4-(3-chlorophenyl)-N2-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3-chlorophenyl)-N2-(2-morpholinoethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3-chlorophenyl)-N2-[2-(4-morpholinyl)ethyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3-chloroanilino)-5-nitro-pyrimidin-2-yl]-(2-morpholinoethyl)amine Formula: C16H20ClN7O3 MolecularWeight: 393.8281

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=NC(=C(C(=N2)NC3=CC(=CC=C3)Cl)[N+](=O)[O-])N

Isomeric SMILES

C1COCCN1CCNC2=NC(=C(C(=N2)NC3=CC(=CC=C3)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C16H20ClN7O3/c17-11-2-1-3-12(10-11)20-15-13(24(25)26)14(18)21-16(22-15)19-4-5-23-6-8-27-9-7-23/h1-3,10H,4-9H2,(H4,18,19,20,21,22)