3-(1,3-benzodioxol-5-ylmethyl)-2-prop-2-ynylsulfanyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-prop-2-ynylsulfanyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-prop-2-ynylsulfanyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(prop-2-ynylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-prop-2-ynylsulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-piperonyl-2-(propargylthio)thieno[3,2-d]pyrimidin-4-one Formula: C17H12N2O3S2 MolecularWeight: 356.41878

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC2=C(C(=O)N1CC3=CC4=C(C=C3)OCO4)SC=C2

Isomeric SMILES

C#CCSC1=NC2=C(C(=O)N1CC3=CC4=C(C=C3)OCO4)SC=C2

InChI

InChI=1S/C17H12N2O3S2/c1-2-6-24-17-18-12-5-7-23-15(12)16(20)19(17)9-11-3-4-13-14(8-11)22-10-21-13/h1,3-5,7-8H,6,9-10H2