N4-(4-butylphenyl)-N6-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-butylphenyl)-N6-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butylphenyl)-N6-(2-morpholinoethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butylphenyl)-N6-[2-(4-morpholinyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-(2-morpholinoethyl)amine Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N6O3/c1-2-3-4-16-5-7-17(8-6-16)24-20-18(26(27)28)19(22-15-23-20)21-9-10-25-11-13-29-14-12-25/h5-8,15H,2-4,9-14H2,1H3,(H2,21,22,23,24)