(2R)-2-[6-bromanyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)propanamide

Systemtic Name: (2R)-2-[6-bromanyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)propanamide Openeye Name: (2R)-2-[6-bromo-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)propanamide CAS Name: (2R)-2-[[6-bromo-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methoxyphenyl)propanamide IUPAC Name: (2R)-2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)propanamide Traditional Name: (2R)-2-[[6-bromo-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-N-(3-methoxyphenyl)propionamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)OC)SC2=NC3=C(C=C(C=C3)Br)C(=O)N2CCOC

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)OC)SC2=NC3=C(C=C(C=C3)Br)C(=O)N2CCOC

InChI

InChI=1S/C21H22BrN3O4S/c1-13(19(26)23-15-5-4-6-16(12-15)29-3)30-21-24-18-8-7-14(22)11-17(18)20(27)25(21)9-10-28-2/h4-8,11-13H,9-10H2,1-3H3,(H,23,26)/t13-/m1/s1