8-azanyl-2-(5-methylsulfonyl-2-propoxy-phenyl)purin-6-one

Systemtic Name: 8-azanyl-2-(5-methylsulfonyl-2-propoxy-phenyl)purin-6-one Openeye Name: 8-amino-2-(5-methylsulfonyl-2-propoxy-phenyl)purin-6-one CAS Name: 8-amino-2-(5-methylsulfonyl-2-propoxyphenyl)-6-purinone IUPAC Name: 8-amino-2-(5-methylsulfonyl-2-propoxyphenyl)purin-6-one Traditional Name: 8-amino-2-(5-mesyl-2-propoxy-phenyl)purin-6-one Formula: C15H15N5O4S MolecularWeight: 361.3757

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC(=O)C3=NC(=NC3=N2)N

InChI

InChI=1S/C15H15N5O4S/c1-3-6-24-10-5-4-8(25(2,22)23)7-9(10)12-18-13-11(14(21)19-12)17-15(16)20-13/h4-5,7H,3,6H2,1-2H3,(H2,16,18,19,20,21)