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

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-N-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C20H28N8O3 MolecularWeight: 428.48812

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H28N8O3/c1-24-7-13-27(14-8-24)23-19-18(28(29)30)20(22-15-21-19)26-11-9-25(10-12-26)16-3-5-17(31-2)6-4-16/h3-6,15H,7-14H2,1-2H3,(H,21,22,23)