4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-ethoxy-5-nitro-pyrimidine

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-ethoxy-5-nitro-pyrimidine Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-ethoxy-5-nitro-pyrimidine CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-ethoxy-5-nitropyrimidine IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-ethoxy-5-nitropyrimidine Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-6-ethoxy-5-nitro-pyrimidine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCOC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C18H23N5O3/c1-4-26-18-16(23(24)25)17(19-12-20-18)22-10-8-21(9-11-22)15-7-5-6-13(2)14(15)3/h5-7,12H,4,8-11H2,1-3H3