N4-(4-butylphenyl)-N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-butylphenyl)-N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butylphenyl)-N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butylphenyl)-N6-[2-(1-cyclohexenyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-N-[2-(cyclohexen-1-yl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-[2-(cyclohexen-1-yl)ethyl]amine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O2/c1-2-3-7-18-10-12-19(13-11-18)26-22-20(27(28)29)21(24-16-25-22)23-15-14-17-8-5-4-6-9-17/h8,10-13,16H,2-7,9,14-15H2,1H3,(H2,23,24,25,26)