3-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C17H17N3O2S/c1-4-6-20-11(2)8-14(12(20)3)15(21)9-19-10-18-16-13(17(19)22)5-7-23-16/h4-5,7-8,10H,1,6,9H2,2-3H3