N-(1,3-benzodioxol-5-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H22N6O5 MolecularWeight: 450.44728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O5/c1-31-17-5-3-16(4-6-17)26-8-10-27(11-9-26)22-20(28(29)30)21(23-13-24-22)25-15-2-7-18-19(12-15)33-14-32-18/h2-7,12-13H,8-11,14H2,1H3,(H,23,24,25)