N4-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(E)-(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylideneamino]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-[(E)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]amine Formula: C17H17N7O2 MolecularWeight: 351.36258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC3=NC=NC(=C3[N+](=O)[O-])N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=N/NC3=NC=NC(=C3[N+](=O)[O-])N

InChI

InChI=1S/C17H17N7O2/c1-11-8-13(12(2)23(11)14-6-4-3-5-7-14)9-21-22-17-15(24(25)26)16(18)19-10-20-17/h3-10H,1-2H3,(H3,18,19,20,22)/b21-9+