4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-6-(3-methyl-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-6-(3-methylpiperidino)-5-nitro-pyrimidine Formula: C21H28N6O3 MolecularWeight: 412.48542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O3/c1-16-4-3-9-26(14-16)21-19(27(28)29)20(22-15-23-21)25-12-10-24(11-13-25)17-5-7-18(30-2)8-6-17/h5-8,15-16H,3-4,9-14H2,1-2H3