6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-1H-pyrimidin-4-one Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-5-nitro-1H-pyrimidin-4-one CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-(4-benzhydrylpiperazino)-5-nitro-1H-pyrimidin-4-one Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N=CN2)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N=CN2)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c27-21-19(26(28)29)20(22-15-23-21)25-13-11-24(12-14-25)18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2,(H,22,23,27)