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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C=CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H22N6O4/c1-2-5-20-18-17(25(26)27)19(22-12-21-18)24-8-6-23(7-9-24)11-14-3-4-15-16(10-14)29-13-28-15/h2-4,10,12H,1,5-9,11,13H2,(H,20,21,22)