(2R)-N-cycloheptyl-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-cycloheptyl-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-cycloheptyl-propanamide CAS Name: (2R)-N-cycloheptyl-2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: (2R)-N-cycloheptyl-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-cycloheptyl-propionamide Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)NC3CCCCCC3)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)S[C@H](C)C(=O)NC3CCCCCC3)CC=C)C

InChI

InChI=1S/C21H29N3O2S2/c1-5-12-24-20(26)17-13(2)14(3)27-19(17)23-21(24)28-15(4)18(25)22-16-10-8-6-7-9-11-16/h5,15-16H,1,6-12H2,2-4H3,(H,22,25)/t15-/m1/s1