2-azanyl-9-(2-hydroxyethyloxymethyl)-8-prop-2-enylsulfanyl-3H-purin-6-one

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-8-prop-2-enylsulfanyl-3H-purin-6-one Openeye Name: 8-allylsulfanyl-2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-8-(prop-2-enylthio)-3H-purin-6-one IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-8-prop-2-enylsulfanyl-3H-purin-6-one Traditional Name: 8-(allylthio)-2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one Formula: C11H15N5O3S MolecularWeight: 297.3335

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(N1COCCO)NC(=NC2=O)N

Isomeric SMILES

C=CCSC1=NC2=C(N1COCCO)NC(=NC2=O)N

InChI

InChI=1S/C11H15N5O3S/c1-2-5-20-11-13-7-8(14-10(12)15-9(7)18)16(11)6-19-4-3-17/h2,17H,1,3-6H2,(H3,12,14,15,18)