3-(2-methoxyethyl)-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(2-methoxyethyl)-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(2-methoxyethyl)-7-[4-(2-pyridyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(2-methoxyethyl)-7-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(2-methoxyethyl)-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(2-methoxyethyl)-7-[4-(2-pyridyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)NC1=S

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)NC1=S

InChI

InChI=1S/C21H23N5O3S/c1-29-13-12-26-20(28)16-6-5-15(14-17(16)23-21(26)30)19(27)25-10-8-24(9-11-25)18-4-2-3-7-22-18/h2-7,14H,8-13H2,1H3,(H,23,30)