8-(8-butylsulfinyl-3,4-dihydro-2H-chromen-5-yl)-7H-purine

Systemtic Name: 8-(8-butylsulfinyl-3,4-dihydro-2H-chromen-5-yl)-7H-purine Openeye Name: 8-(8-butylsulfinylchroman-5-yl)-7H-purine CAS Name: 8-(8-butylsulfinyl-3,4-dihydro-2H-1-benzopyran-5-yl)-7H-purine IUPAC Name: 8-(8-butylsulfinyl-3,4-dihydro-2H-chromen-5-yl)-7H-purine Traditional Name: 8-(8-butylsulfinylchroman-5-yl)-7H-purine Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)C1=C2C(=C(C=C1)C3=NC4=NC=NC=C4N3)CCCO2

Isomeric SMILES

CCCCS(=O)C1=C2C(=C(C=C1)C3=NC4=NC=NC=C4N3)CCCO2

InChI

InChI=1S/C18H20N4O2S/c1-2-3-9-25(23)15-7-6-13(12-5-4-8-24-16(12)15)17-21-14-10-19-11-20-18(14)22-17/h6-7,10-11H,2-5,8-9H2,1H3,(H,19,20,21,22)