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

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)-5-nitro-pyrimidin-4-amine Openeye Name: N-isopentyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-N-(3-methylbutyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)-5-nitropyrimidin-4-amine Traditional Name: isoamyl-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O3/c1-15(2)8-9-21-19-18(26(27)28)20(23-14-22-19)25-12-10-24(11-13-25)16-4-6-17(29-3)7-5-16/h4-7,14-15H,8-13H2,1-3H3,(H,21,22,23)