N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-N4-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-N4-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-[2-(cyclohexen-1-yl)ethyl]-5-nitro-N4-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(1-cyclohexenyl)ethyl]-5-nitro-N4-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

Isomeric SMILES

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

InChI

InChI=1S/C18H22N6O2/c25-24(26)16-17(20-10-8-14-5-2-1-3-6-14)22-13-23-18(16)21-12-15-7-4-9-19-11-15/h4-5,7,9,11,13H,1-3,6,8,10,12H2,(H2,20,21,22,23)