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

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1-methyl-4-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-N-methyl-N-(1-methyl-4-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C22H31N7O3 MolecularWeight: 441.52664

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H31N7O3/c1-25-10-8-17(9-11-25)26(2)21-20(29(30)31)22(24-16-23-21)28-14-12-27(13-15-28)18-4-6-19(32-3)7-5-18/h4-7,16-17H,8-15H2,1-3H3