4-(2-ethylpiperidin-1-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-(2-ethylpiperidin-1-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-(2-ethyl-1-piperidyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 4-(2-ethyl-1-piperidinyl)-5-nitro-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-(2-ethylpiperidin-1-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 4-(2-ethylpiperidino)-5-nitro-6-(4-phenylpiperazino)pyrimidine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O2/c1-2-17-8-6-7-11-26(17)21-19(27(28)29)20(22-16-23-21)25-14-12-24(13-15-25)18-9-4-3-5-10-18/h3-5,9-10,16-17H,2,6-8,11-15H2,1H3