ethyl 6-azanyl-4-(1,3-benzodioxol-4-yl)-5-cyano-2-(7H-purin-6-ylsulfanylmethyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-(1,3-benzodioxol-4-yl)-5-cyano-2-(7H-purin-6-ylsulfanylmethyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(1,3-benzodioxol-4-yl)-5-cyano-2-(7H-purin-6-ylsulfanylmethyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(1,3-benzodioxol-4-yl)-5-cyano-2-[(7H-purin-6-ylthio)methyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(1,3-benzodioxol-4-yl)-5-cyano-2-(7H-purin-6-ylsulfanylmethyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(1,3-benzodioxol-4-yl)-5-cyano-2-[(7H-purin-6-ylthio)methyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C22H18N6O5S MolecularWeight: 478.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=C3C(=CC=C2)OCO3)C#N)N)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=C3C(=CC=C2)OCO3)C#N)N)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H18N6O5S/c1-2-30-22(29)16-14(7-34-21-17-20(26-8-25-17)27-9-28-21)33-19(24)12(6-23)15(16)11-4-3-5-13-18(11)32-10-31-13/h3-5,8-9,15H,2,7,10,24H2,1H3,(H,25,26,27,28)