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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H19ClN6O4 MolecularWeight: 454.86636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN6O4/c22-14-2-1-3-16(10-14)26-6-8-27(9-7-26)21-19(28(29)30)20(23-12-24-21)25-15-4-5-17-18(11-15)32-13-31-17/h1-5,10-12H,6-9,13H2,(H,23,24,25)