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

Systemtic Name: 2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl]thio]thieno[2,3-d]pyrimidin-4-one Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C)C

InChI

InChI=1S/C20H23N3O2S2/c1-5-8-22-13(3)11-16(14(22)4)17(24)12-27-20-21-18-15(7-10-26-18)19(25)23(20)9-6-2/h6-7,10-11H,2,5,8-9,12H2,1,3-4H3