6-(benzotriazol-1-yl)-N-(2,3-dimethylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-N-(2,3-dimethylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-(2,3-dimethylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-(2,3-dimethylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-(2,3-dimethylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(2,3-dimethylphenyl)amine Formula: C18H15N7O2 MolecularWeight: 361.3574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C18H15N7O2/c1-11-6-5-8-13(12(11)2)21-17-16(25(26)27)18(20-10-19-17)24-15-9-4-3-7-14(15)22-23-24/h3-10H,1-2H3,(H,19,20,21)