N-(1,3-benzodioxol-5-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)[N+](=O)[O-])C

InChI

InChI=1S/C23H24N6O4/c1-15-4-3-5-18(16(15)2)27-8-10-28(11-9-27)23-21(29(30)31)22(24-13-25-23)26-17-6-7-19-20(12-17)33-14-32-19/h3-7,12-13H,8-11,14H2,1-2H3,(H,24,25,26)