6-(benzotriazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-[2-(1-cyclohexenyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-[2-(cyclohexen-1-yl)ethyl]amine Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H19N7O2/c26-25(27)16-17(19-11-10-13-6-2-1-3-7-13)20-12-21-18(16)24-15-9-5-4-8-14(15)22-23-24/h4-6,8-9,12H,1-3,7,10-11H2,(H,19,20,21)