7-nitro-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione

Systemtic Name: 7-nitro-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione Openeye Name: 7-nitro-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione CAS Name: 7-nitro-3-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1H-quinazoline-2,4-dione IUPAC Name: 7-nitro-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione Traditional Name: 7-nitro-3-[3-[4-(2-pyrimidyl)piperazino]propyl]-1H-quinazoline-2,4-quinone Formula: C19H21N7O4 MolecularWeight: 411.41454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C4=NC=CC=N4

InChI

InChI=1S/C19H21N7O4/c27-17-15-4-3-14(26(29)30)13-16(15)22-19(28)25(17)8-2-7-23-9-11-24(12-10-23)18-20-5-1-6-21-18/h1,3-6,13H,2,7-12H2,(H,22,28)