4-ethoxy-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-ethoxy-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-ethoxy-5-nitro-pyrimidine CAS Name: 4-ethoxy-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-ethoxy-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-ethoxy-5-nitro-pyrimidine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O3/c1-2-25-17-15(22(23)24)16(18-13-19-17)21-10-8-20(9-11-21)12-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3