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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-6-ethoxy-5-nitro-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-ethoxy-5-nitro-pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-6-ethoxy-5-nitropyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-ethoxy-5-nitropyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-6-ethoxy-5-nitro-pyrimidine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3/c1-2-31-23-21(28(29)30)22(24-17-25-23)27-15-13-26(14-16-27)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20H,2,13-16H2,1H3