2-azanyl-9-[3,4-bis(oxidanyl)-5-(propylsulfanylmethyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3,4-bis(oxidanyl)-5-(propylsulfanylmethyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(propylsulfanylmethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-[(propylthio)methyl]-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(propylsulfanylmethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[3,4-dihydroxy-5-[(propylthio)methyl]tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C13H19N5O4S MolecularWeight: 341.38606

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

Isomeric SMILES

CCCSCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

InChI

InChI=1S/C13H19N5O4S/c1-2-3-23-4-6-8(19)9(20)12(22-6)18-5-15-7-10(18)16-13(14)17-11(7)21/h5-6,8-9,12,19-20H,2-4H2,1H3,(H3,14,16,17,21)