6-(benzotriazol-1-yl)-N-(2,5-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-N-(2,5-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-(2,5-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-(2,5-dimethoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-(2,5-dimethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(2,5-dimethoxyphenyl)amine Formula: C18H15N7O4 MolecularWeight: 393.3562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H15N7O4/c1-28-11-7-8-15(29-2)13(9-11)21-17-16(25(26)27)18(20-10-19-17)24-14-6-4-3-5-12(14)22-23-24/h3-10H,1-2H3,(H,19,20,21)