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

Systemtic Name: N6-(4-butylphenyl)-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4-cycloheptyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-cycloheptyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-cycloheptyl-amine Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O2/c1-2-3-8-16-11-13-18(14-12-16)25-21-19(26(27)28)20(22-15-23-21)24-17-9-6-4-5-7-10-17/h11-15,17H,2-10H2,1H3,(H2,22,23,24,25)