3-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]-3-oxo-propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazinyl]-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-keto-3-[4-[(3-methylisoxazol-5-yl)methyl]piperazino]propyl]-2-thioxo-1H-quinazolin-4-one Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1=NOC(=C1)CN2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C20H23N5O3S/c1-14-12-15(28-22-14)13-23-8-10-24(11-9-23)18(26)6-7-25-19(27)16-4-2-3-5-17(16)21-20(25)29/h2-5,12H,6-11,13H2,1H3,(H,21,29)