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

Systemtic Name: N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-N4-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-N4-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(1-cyclohexenyl)ethyl]-5-nitro-N4-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amine Formula: C21H22N6O2 MolecularWeight: 390.43838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C21H22N6O2/c28-27(29)19-20(23-13-11-15-6-2-1-3-7-15)24-14-25-21(19)26-18-10-4-9-17-16(18)8-5-12-22-17/h4-6,8-10,12,14H,1-3,7,11,13H2,(H2,23,24,25,26)