2-[(1S)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1S)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]sulfanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]thio]-5,6-dimethyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[(1S)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]thio]-5,6-dimethyl-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=C(SC2=C1C(=O)N(C(=N2)SC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)S[C@@H](C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54)CC=C)C

InChI

InChI=1S/C27H23N3O2S2/c1-4-14-30-26(32)22-16(2)17(3)33-25(22)29-27(30)34-24(18-10-6-5-7-11-18)23(31)20-15-28-21-13-9-8-12-19(20)21/h4-13,15,24,28H,1,14H2,2-3H3/t24-/m0/s1