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

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C24H25N7O2 MolecularWeight: 443.501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NCCCN4C=CN=C4

InChI

InChI=1S/C24H25N7O2/c32-31(33)22-23(26-12-7-14-29-15-13-25-19-29)27-18-28-24(22)30(16-20-8-3-1-4-9-20)17-21-10-5-2-6-11-21/h1-6,8-11,13,15,18-19H,7,12,14,16-17H2,(H,26,27,28)