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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(3-methyl-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-(3-methylpiperidino)-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C22H28N6O4/c1-16-3-2-6-27(12-16)22-20(28(29)30)21(23-14-24-22)26-9-7-25(8-10-26)13-17-4-5-18-19(11-17)32-15-31-18/h4-5,11,14,16H,2-3,6-10,12-13,15H2,1H3