4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C33H35N7O4 MolecularWeight: 593.6755

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)N5CCN(CC5)C(C6=CC=CC=C6)C7=CC=CC=C7)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)N5CCN(CC5)C(C6=CC=CC=C6)C7=CC=CC=C7)[N+](=O)[O-]

InChI

InChI=1S/C33H35N7O4/c41-40(42)31-32(38-15-13-36(14-16-38)22-25-11-12-28-29(21-25)44-24-43-28)34-23-35-33(31)39-19-17-37(18-20-39)30(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-12,21,23,30H,13-20,22,24H2