6-(benzotriazol-1-yl)-N-(4-butoxyphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-N-(4-butoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-(4-butoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-(4-butoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-(4-butoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(4-butoxyphenyl)amine Formula: C20H19N7O3 MolecularWeight: 405.40996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H19N7O3/c1-2-3-12-30-15-10-8-14(9-11-15)23-19-18(27(28)29)20(22-13-21-19)26-17-7-5-4-6-16(17)24-25-26/h4-11,13H,2-3,12H2,1H3,(H,21,22,23)