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

Systemtic Name: N4-(4-butylphenyl)-N6-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butylphenyl)-N6-(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butylphenyl)-N6-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-N-(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-(2-methoxyethyl)amine Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O3/c1-3-4-5-13-6-8-14(9-7-13)21-17-15(22(23)24)16(19-12-20-17)18-10-11-25-2/h6-9,12H,3-5,10-11H2,1-2H3,(H2,18,19,20,21)