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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-methylbutyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-isopentyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(3-methylbutyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-methylbutyl)-5-nitropyrimidin-4-amine Traditional Name: isoamyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O4/c1-15(2)5-6-22-20-19(27(28)29)21(24-13-23-20)26-9-7-25(8-10-26)12-16-3-4-17-18(11-16)31-14-30-17/h3-4,11,13,15H,5-10,12,14H2,1-2H3,(H,22,23,24)