2-(6-aminopurin-9-yl)-5-[(3,4-dihydro-2H-thiochromen-4-ylamino)oxymethyl]oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[(3,4-dihydro-2H-thiochromen-4-ylamino)oxymethyl]oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-[(thiochroman-4-ylamino)oxymethyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)oxymethyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-[(3,4-dihydro-2H-thiochromen-4-ylamino)oxymethyl]oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[(thiochroman-4-ylamino)oxymethyl]tetrahydrofuran-3,4-diol Formula: C19H22N6O4S MolecularWeight: 430.48078

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NOCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O

Isomeric SMILES

C1CSC2=CC=CC=C2C1NOCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O

InChI

InChI=1S/C19H22N6O4S/c20-17-14-18(22-8-21-17)25(9-23-14)19-16(27)15(26)12(29-19)7-28-24-11-5-6-30-13-4-2-1-3-10(11)13/h1-4,8-9,11-12,15-16,19,24,26-27H,5-7H2,(H2,20,21,22)