2-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]thio]thieno[2,3-d]pyrimidin-4-one Formula: C23H26N4O2S2 MolecularWeight: 454.60814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC4=C(C=CS4)C(=O)N3CC=C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC4=C(C=CS4)C(=O)N3CC=C

InChI

InChI=1S/C23H26N4O2S2/c1-3-10-27-22(29)19-9-15-30-20(19)24-23(27)31-17(2)21(28)26-13-11-25(12-14-26)16-18-7-5-4-6-8-18/h3-9,15,17H,1,10-14,16H2,2H3