3-ethyl-7-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-ethyl-7-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-ethyl-7-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-ethyl-7-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-ethyl-7-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-ethyl-7-[4-(2-keto-2-pyrrolidino-ethyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H27N5O3S MolecularWeight: 429.53578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC(=O)N4CCCC4)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC(=O)N4CCCC4)NC1=S

InChI

InChI=1S/C21H27N5O3S/c1-2-26-20(29)16-6-5-15(13-17(16)22-21(26)30)19(28)25-11-9-23(10-12-25)14-18(27)24-7-3-4-8-24/h5-6,13H,2-4,7-12,14H2,1H3,(H,22,30)