2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-3-prop-2-enyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[(4R)-1,3-dioxan-4-yl]methylthio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3CCOCO3)SC=C2C4=CC=CS4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SC[C@H]3CCOCO3)SC=C2C4=CC=CS4

InChI

InChI=1S/C18H18N2O3S3/c1-2-6-20-17(21)15-13(14-4-3-8-24-14)10-25-16(15)19-18(20)26-9-12-5-7-22-11-23-12/h2-4,8,10,12H,1,5-7,9,11H2/t12-/m1/s1