8-azanyl-2-[5-(2-methylpropylsulfonyl)-2-propoxy-phenyl]purin-6-one

Systemtic Name: 8-azanyl-2-[5-(2-methylpropylsulfonyl)-2-propoxy-phenyl]purin-6-one Openeye Name: 8-amino-2-(5-isobutylsulfonyl-2-propoxy-phenyl)purin-6-one CAS Name: 8-amino-2-[5-(2-methylpropylsulfonyl)-2-propoxyphenyl]-6-purinone IUPAC Name: 8-amino-2-[5-(2-methylpropylsulfonyl)-2-propoxyphenyl]purin-6-one Traditional Name: 8-amino-2-(5-isobutylsulfonyl-2-propoxy-phenyl)purin-6-one Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4S/c1-4-7-27-13-6-5-11(28(25,26)9-10(2)3)8-12(13)15-21-16-14(17(24)22-15)20-18(19)23-16/h5-6,8,10H,4,7,9H2,1-3H3,(H2,19,21,22,23,24)