N4-(diphenylmethyl)-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(diphenylmethyl)-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(diphenylmethyl)-N6-[3-(1-imidazolyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-6-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzhydryl-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C23H23N7O2 MolecularWeight: 429.47442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])NCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])NCCCN4C=CN=C4

InChI

InChI=1S/C23H23N7O2/c31-30(32)21-22(25-12-7-14-29-15-13-24-17-29)26-16-27-23(21)28-20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13,15-17,20H,7,12,14H2,(H2,25,26,27,28)