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

Systemtic Name: N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N6-[2-(cyclohexen-1-yl)ethyl]-N4-(4-isopropylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(1-cyclohexenyl)ethyl]-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-[2-(cyclohexen-1-yl)ethyl]amine Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-15(2)17-8-10-18(11-9-17)25-21-19(26(27)28)20(23-14-24-21)22-13-12-16-6-4-3-5-7-16/h6,8-11,14-15H,3-5,7,12-13H2,1-2H3,(H2,22,23,24,25)