2-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)ethanamide

Systemtic Name: 2-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide CAS Name: 2-[[3-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]-N-(2-methoxyphenyl)acetamide Formula: C25H27N5O3S MolecularWeight: 477.57858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4OC)C

Isomeric SMILES

CC1=CC(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4OC)C

InChI

InChI=1S/C25H27N5O3S/c1-17-15-18(2)30(28-17)14-8-13-29-24(32)19-9-4-5-10-20(19)27-25(29)34-16-23(31)26-21-11-6-7-12-22(21)33-3/h4-7,9-12,15H,8,13-14,16H2,1-3H3,(H,26,31)