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

Systemtic Name: 8-azanyl-2-(5-tert-butylsulfonyl-2-propoxy-phenyl)purin-6-one Openeye Name: 8-amino-2-(5-tert-butylsulfonyl-2-propoxy-phenyl)purin-6-one CAS Name: 8-amino-2-(5-tert-butylsulfonyl-2-propoxyphenyl)-6-purinone IUPAC Name: 8-amino-2-(5-tert-butylsulfonyl-2-propoxyphenyl)purin-6-one Traditional Name: 8-amino-2-(5-tert-butylsulfonyl-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)C(C)(C)C)C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4S/c1-5-8-27-12-7-6-10(28(25,26)18(2,3)4)9-11(12)14-21-15-13(16(24)22-14)20-17(19)23-15/h6-7,9H,5,8H2,1-4H3,(H2,19,21,22,23,24)