N-(cyclopropylcarbamoyl)-2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(cyclopropylcarbamoyl)-2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide CAS Name: N-[(cyclopropylamino)-oxomethyl]-2-[(4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(cyclopropylcarbamoyl)-2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(cyclopropylcarbamoyl)propionamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)SC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)NC(=O)NC1CC1)SC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2CC=C

InChI

InChI=1S/C22H22N4O3S2/c1-3-11-26-20(28)16-12-17(14-7-5-4-6-8-14)31-19(16)25-22(26)30-13(2)18(27)24-21(29)23-15-9-10-15/h3-8,12-13,15H,1,9-11H2,2H3,(H2,23,24,27,29)