3-azanyl-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N)C

InChI

InChI=1S/C21H24N4O2S2/c1-13-8-14(2)10-24(9-13)17(26)12-29-21-23-19-18(20(27)25(21)22)16(11-28-19)15-6-4-3-5-7-15/h3-7,11,13-14H,8-10,12,22H2,1-2H3