N2-(3-imidazol-1-ylpropyl)-6-methyl-5-nitro-N4-phenyl-pyrimidine-2,4-diamine

Systemtic Name: N2-(3-imidazol-1-ylpropyl)-6-methyl-5-nitro-N4-phenyl-pyrimidine-2,4-diamine Openeye Name: N2-(3-imidazol-1-ylpropyl)-6-methyl-5-nitro-N4-phenyl-pyrimidine-2,4-diamine CAS Name: N2-[3-(1-imidazolyl)propyl]-6-methyl-5-nitro-N4-phenylpyrimidine-2,4-diamine IUPAC Name: 2-N-(3-imidazol-1-ylpropyl)-6-methyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine Traditional Name: (4-anilino-6-methyl-5-nitro-pyrimidin-2-yl)-(3-imidazol-1-ylpropyl)amine Formula: C17H19N7O2 MolecularWeight: 353.37846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NCCCN2C=CN=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NCCCN2C=CN=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O2/c1-13-15(24(25)26)16(21-14-6-3-2-4-7-14)22-17(20-13)19-8-5-10-23-11-9-18-12-23/h2-4,6-7,9,11-12H,5,8,10H2,1H3,(H2,19,20,21,22)