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

Systemtic Name: N2-(3-imidazol-1-ylpropyl)-6-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N4-benzyl-N2-(3-imidazol-1-ylpropyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[3-(1-imidazolyl)propyl]-6-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-benzyl-2-N-(3-imidazol-1-ylpropyl)-6-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: benzyl-[2-(3-imidazol-1-ylpropylamino)-6-methyl-5-nitro-pyrimidin-4-yl]amine Formula: C18H21N7O2 MolecularWeight: 367.40504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NCCCN2C=CN=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NCCCN2C=CN=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N7O2/c1-14-16(25(26)27)17(21-12-15-6-3-2-4-7-15)23-18(22-14)20-8-5-10-24-11-9-19-13-24/h2-4,6-7,9,11,13H,5,8,10,12H2,1H3,(H2,20,21,22,23)