1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzimidazole

Systemtic Name: 1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzimidazole Openeye Name: 1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzimidazole CAS Name: 1-[6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]benzimidazole IUPAC Name: 1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzimidazole Traditional Name: 1-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]benzimidazole Formula: C22H21N7O3 MolecularWeight: 431.44724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54

InChI

InChI=1S/C22H21N7O3/c1-32-17-8-6-16(7-9-17)26-10-12-27(13-11-26)21-20(29(30)31)22(24-14-23-21)28-15-25-18-4-2-3-5-19(18)28/h2-9,14-15H,10-13H2,1H3