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

Systemtic Name: N4-[(2-chlorophenyl)methyl]-N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[(2-chlorophenyl)methyl]-N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(2-chlorophenyl)methyl]-N6-[2-(1-cyclohexenyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(2-chlorophenyl)methyl]-6-N-[2-(cyclohexen-1-yl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chlorobenzyl)-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H22ClN5O2 MolecularWeight: 387.86328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3Cl

Isomeric SMILES

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3Cl

InChI

InChI=1S/C19H22ClN5O2/c20-16-9-5-4-8-15(16)12-22-19-17(25(26)27)18(23-13-24-19)21-11-10-14-6-2-1-3-7-14/h4-6,8-9,13H,1-3,7,10-12H2,(H2,21,22,23,24)