methyl 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-morpholin-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-morpholin-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-(2-morpholinoethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-3-[2-(4-morpholinyl)ethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-(2-morpholin-4-ylethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-4-keto-3-(2-morpholinoethyl)quinazoline-7-carboxylic acid methyl ester Formula: C22H26N6O5S MolecularWeight: 486.54404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCN4CCOCC4)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCN4CCOCC4)N

InChI

InChI=1S/C22H26N6O5S/c1-14-11-18(23)25-28(14)19(29)13-34-22-24-17-12-15(21(31)32-2)3-4-16(17)20(30)27(22)6-5-26-7-9-33-10-8-26/h3-4,11-12H,5-10,13H2,1-2H3,(H2,23,25)