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

Systemtic Name: 2-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]thio]-5-(4-methylphenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C27H23N3O2S2 MolecularWeight: 485.62042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=C(NC5=CC=CC=C54)C)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=C(NC5=CC=CC=C54)C)CC=C

InChI

InChI=1S/C27H23N3O2S2/c1-4-13-30-26(32)24-20(18-11-9-16(2)10-12-18)14-33-25(24)29-27(30)34-15-22(31)23-17(3)28-21-8-6-5-7-19(21)23/h4-12,14,28H,1,13,15H2,2-3H3