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

Systemtic Name: N4-(2-methoxyphenyl)-N2-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2-methoxyphenyl)-N2-(2-morpholinoethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2-methoxyphenyl)-N2-[2-(4-morpholinyl)ethyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]-(2-methoxyphenyl)amine Formula: C17H23N7O4 MolecularWeight: 389.40902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCN3CCOCC3

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCN3CCOCC3

InChI

InChI=1S/C17H23N7O4/c1-27-13-5-3-2-4-12(13)20-16-14(24(25)26)15(18)21-17(22-16)19-6-7-23-8-10-28-11-9-23/h2-5H,6-11H2,1H3,(H4,18,19,20,21,22)