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

Systemtic Name: N6-[2-(cyclohexen-1-yl)ethyl]-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(cyclohexen-1-yl)ethyl]-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(1-cyclohexenyl)ethyl]-N4-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[5-nitro-6-(p-phenetidino)pyrimidin-4-yl]amine Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O3/c1-2-28-17-10-8-16(9-11-17)24-20-18(25(26)27)19(22-14-23-20)21-13-12-15-6-4-3-5-7-15/h6,8-11,14H,2-5,7,12-13H2,1H3,(H2,21,22,23,24)