2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-allyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-5-(4-methylphenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-allyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C28H30N2O2S2 MolecularWeight: 490.68

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C45CC6CC(C4)CC(C6)C5)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C45CC6CC(C4)CC(C6)C5)CC=C

InChI

InChI=1S/C28H30N2O2S2/c1-3-8-30-26(32)24-22(21-6-4-17(2)5-7-21)15-33-25(24)29-27(30)34-16-23(31)28-12-18-9-19(13-28)11-20(10-18)14-28/h3-7,15,18-20H,1,8-14,16H2,2H3