5,6-dimethyl-3-phenyl-2-prop-2-ynylsulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-3-phenyl-2-prop-2-ynylsulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-3-phenyl-2-prop-2-ynylsulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-phenyl-2-(prop-2-ynylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-3-phenyl-2-prop-2-ynylsulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-3-phenyl-2-(propargylthio)thieno[2,3-d]pyrimidin-4-one Formula: C17H14N2OS2 MolecularWeight: 326.43586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#C)C3=CC=CC=C3)C

InChI

InChI=1S/C17H14N2OS2/c1-4-10-21-17-18-15-14(11(2)12(3)22-15)16(20)19(17)13-8-6-5-7-9-13/h1,5-9H,10H2,2-3H3