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

Systemtic Name: 8-azanyl-2-(2-propoxy-5-propylsulfonyl-phenyl)purin-6-one Openeye Name: 8-amino-2-(2-propoxy-5-propylsulfonyl-phenyl)purin-6-one CAS Name: 8-amino-2-(2-propoxy-5-propylsulfonylphenyl)-6-purinone IUPAC Name: 8-amino-2-(2-propoxy-5-propylsulfonylphenyl)purin-6-one Traditional Name: 8-amino-2-(2-propoxy-5-propylsulfonyl-phenyl)purin-6-one Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4S/c1-3-7-26-12-6-5-10(27(24,25)8-4-2)9-11(12)14-20-15-13(16(23)21-14)19-17(18)22-15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,18,20,21,22,23)