2-azanyl-1-(2-methylpropylsulfanyl)-7H-purin-6-one

Systemtic Name: 2-azanyl-1-(2-methylpropylsulfanyl)-7H-purin-6-one Openeye Name: 2-amino-1-isobutylsulfanyl-7H-purin-6-one CAS Name: 2-amino-1-(2-methylpropylthio)-7H-purin-6-one IUPAC Name: 2-amino-1-(2-methylpropylsulfanyl)-7H-purin-6-one Traditional Name: 2-amino-1-(isobutylthio)-7H-purin-6-one Formula: C9H13N5OS MolecularWeight: 239.29742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSN1C(=O)C2=C(N=CN2)N=C1N

Isomeric SMILES

CC(C)CSN1C(=O)C2=C(N=CN2)N=C1N

InChI

InChI=1S/C9H13N5OS/c1-5(2)3-16-14-8(15)6-7(12-4-11-6)13-9(14)10/h4-5H,3H2,1-2H3,(H2,10,13)(H,11,12)