N-(1,3-benzodioxol-5-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O4/c28-27(29)19-20(24-15-6-7-17-18(12-15)31-14-30-17)22-13-23-21(19)26-10-8-25(9-11-26)16-4-2-1-3-5-16/h1-7,12-13H,8-11,14H2,(H,22,23,24)