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

Systemtic Name: 3-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-1-yl]-3-oxo-propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazinyl]-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazino]-3-keto-propyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H25N5O3S/c1-14-17(15(2)29-23-14)13-24-9-11-25(12-10-24)19(27)7-8-26-20(28)16-5-3-4-6-18(16)22-21(26)30/h3-6H,7-13H2,1-2H3,(H,22,30)