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

Systemtic Name: N4-(4-ethoxyphenyl)-N2-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(4-ethoxyphenyl)-N2-(2-morpholinoethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(4-ethoxyphenyl)-N2-[2-(4-morpholinyl)ethyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C18H25N7O4 MolecularWeight: 403.4356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCN3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCN3CCOCC3

InChI

InChI=1S/C18H25N7O4/c1-2-29-14-5-3-13(4-6-14)21-17-15(25(26)27)16(19)22-18(23-17)20-7-8-24-9-11-28-12-10-24/h3-6H,2,7-12H2,1H3,(H4,19,20,21,22,23)