3-(1,3-benzodioxol-5-ylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-piperonyl-7-[4-(2-pyrimidyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H22N6O4S MolecularWeight: 502.54498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H22N6O4S/c32-22(29-8-10-30(11-9-29)24-26-6-1-7-27-24)17-3-4-18-19(13-17)28-25(36)31(23(18)33)14-16-2-5-20-21(12-16)35-15-34-20/h1-7,12-13H,8-11,14-15H2,(H,28,36)