3-(1,3-benzodioxol-5-ylmethyl)-2-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one Traditional Name: 2-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]-3-piperonyl-quinazolin-4-one Formula: C27H26N6O4 MolecularWeight: 498.53314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC3=NC4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC3=NC4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H26N6O4/c34-25(31-12-14-32(15-13-31)27-28-10-3-11-29-27)9-8-24-30-21-5-2-1-4-20(21)26(35)33(24)17-19-6-7-22-23(16-19)37-18-36-22/h1-7,10-11,16H,8-9,12-15,17-18H2