4-(4-ethylpiperazin-1-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine

Systemtic Name: 4-(4-ethylpiperazin-1-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-(4-ethyl-1-piperazinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperidino)-6-(4-ethylpiperazino)-5-nitro-pyrimidine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N6O2/c1-2-25-12-14-27(15-13-25)22-20(28(29)30)21(23-17-24-22)26-10-8-19(9-11-26)16-18-6-4-3-5-7-18/h3-7,17,19H,2,8-16H2,1H3