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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1-benzothiophen-3-ylmethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(benzothiophen-3-ylmethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(1-benzothiophen-3-ylmethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(1-benzothiophen-3-ylmethyl)-5-nitropyrimidin-4-amine Traditional Name: benzothiophen-3-ylmethyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C25H24N6O4S MolecularWeight: 504.56086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC5=CSC6=CC=CC=C65)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC5=CSC6=CC=CC=C65)[N+](=O)[O-]

InChI

InChI=1S/C25H24N6O4S/c32-31(33)23-24(26-12-18-14-36-22-4-2-1-3-19(18)22)27-15-28-25(23)30-9-7-29(8-10-30)13-17-5-6-20-21(11-17)35-16-34-20/h1-6,11,14-15H,7-10,12-13,16H2,(H,26,27,28)