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

Systemtic Name: 3-propyl-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-propyl-7-[4-(2-pyridyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3-propyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-propyl-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-propyl-7-[4-(2-pyridyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)NC1=S

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)NC1=S

InChI

InChI=1S/C21H23N5O2S/c1-2-9-26-20(28)16-7-6-15(14-17(16)23-21(26)29)19(27)25-12-10-24(11-13-25)18-5-3-4-8-22-18/h3-8,14H,2,9-13H2,1H3,(H,23,29)