4-(2-ethylpiperidin-1-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-(2-ethylpiperidin-1-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(2-ethyl-1-piperidyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-(2-ethyl-1-piperidinyl)-6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(2-ethylpiperidin-1-yl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(2-ethylpiperidino)-6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidine Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H30N6O3/c1-3-17-6-4-5-11-27(17)22-20(28(29)30)21(23-16-24-22)26-14-12-25(13-15-26)18-7-9-19(31-2)10-8-18/h7-10,16-17H,3-6,11-15H2,1-2H3