diethyl-[2-[4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[4-oxo-7-[4-(2-pyridyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[4-oxo-7-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[4-oxo-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Traditional Name: diethyl-[2-[4-keto-7-[4-(2-pyridyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium Formula: C24H31N6O2S+ MolecularWeight: 467.60694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)NC1=S

InChI

InChI=1S/C24H30N6O2S/c1-3-27(4-2)11-16-30-23(32)19-9-8-18(17-20(19)26-24(30)33)22(31)29-14-12-28(13-15-29)21-7-5-6-10-25-21/h5-10,17H,3-4,11-16H2,1-2H3,(H,26,33)/p+1