4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(4-methyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-6-(4-methyl-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-6-(4-methylpiperidino)-5-nitro-pyrimidine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O3/c1-16-7-9-25(10-8-16)20-19(27(28)29)21(23-15-22-20)26-13-11-24(12-14-26)17-3-5-18(30-2)6-4-17/h3-6,15-16H,7-14H2,1-2H3