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

Systemtic Name: N6-(4-butoxyphenyl)-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butoxyphenyl)-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-N4-cycloheptyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butoxyphenyl)-4-N-cycloheptyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-cycloheptyl-amine Formula: C21H29N5O3 MolecularWeight: 399.48666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O3/c1-2-3-14-29-18-12-10-17(11-13-18)25-21-19(26(27)28)20(22-15-23-21)24-16-8-6-4-5-7-9-16/h10-13,15-16H,2-9,14H2,1H3,(H2,22,23,24,25)