N4-[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]-N1-phenyl-benzene-1,4-diamine

Systemtic Name: N4-[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]-N1-phenyl-benzene-1,4-diamine Openeye Name: N4-[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]-N1-phenyl-benzene-1,4-diamine CAS Name: N4-[6-methyl-2-(4-nitro-1-pyrazolyl)-4-pyrimidinyl]-N1-phenylbenzene-1,4-diamine IUPAC Name: 4-N-[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]-1-N-phenylbenzene-1,4-diamine Traditional Name: (4-anilinophenyl)-[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amine Formula: C20H17N7O2 MolecularWeight: 387.39468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C20H17N7O2/c1-14-11-19(25-20(22-14)26-13-18(12-21-26)27(28)29)24-17-9-7-16(8-10-17)23-15-5-3-2-4-6-15/h2-13,23H,1H3,(H,22,24,25)