4-imidazol-1-yl-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-imidazol-1-yl-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-imidazol-1-yl-5-nitro-pyrimidine CAS Name: 4-(1-imidazolyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-imidazol-1-yl-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-imidazol-1-yl-5-nitro-pyrimidine Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4C=CN=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4C=CN=C4

InChI

InChI=1S/C18H19N7O2/c26-25(27)16-17(20-13-21-18(16)24-7-6-19-14-24)23-10-8-22(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14H,8-12H2