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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 5-nitro-4-(4-phenylpiperazino)-6-(4-piperonylpiperazino)pyrimidine Formula: C26H29N7O4 MolecularWeight: 503.55296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N7O4/c34-33(35)24-25(27-18-28-26(24)32-14-12-30(13-15-32)21-4-2-1-3-5-21)31-10-8-29(9-11-31)17-20-6-7-22-23(16-20)37-19-36-22/h1-7,16,18H,8-15,17,19H2