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

Systemtic Name: 2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]thio]-3-prop-2-enyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl]thio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H19N3O2S3 MolecularWeight: 441.58946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC=C

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC=C

InChI

InChI=1S/C21H19N3O2S3/c1-4-7-24-20(26)18-15(17-6-5-8-27-17)10-28-19(18)23-21(24)29-11-16(25)14-9-12(2)22-13(14)3/h4-6,8-10,22H,1,7,11H2,2-3H3