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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(2-thienylmethyl)pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-N-(thiophen-2-ylmethyl)-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-(2-thenyl)amine Formula: C21H22N6O4S MolecularWeight: 454.50218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NCC5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4S/c28-27(29)19-20(22-11-16-2-1-9-32-16)23-13-24-21(19)26-7-5-25(6-8-26)12-15-3-4-17-18(10-15)31-14-30-17/h1-4,9-10,13H,5-8,11-12,14H2,(H,22,23,24)