2-(1,3-dioxan-4-ylmethylsulfanyl)-6-ethyl-3-phenethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-dioxan-4-ylmethylsulfanyl)-6-ethyl-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-dioxan-4-ylmethylsulfanyl)-6-ethyl-3-phenethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-dioxan-4-ylmethylthio)-6-ethyl-3-phenethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1,3-dioxan-4-ylmethylsulfanyl)-6-ethyl-3-phenethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1,3-dioxan-4-ylmethylthio)-6-ethyl-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC4CCOCO4

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC4CCOCO4

InChI

InChI=1S/C21H24N2O3S2/c1-2-17-12-18-19(28-17)22-21(27-13-16-9-11-25-14-26-16)23(20(18)24)10-8-15-6-4-3-5-7-15/h3-7,12,16H,2,8-11,13-14H2,1H3