2-azanyl-9-(2-methoxy-4-piperidin-1-ylsulfonyl-phenyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-9-(2-methoxy-4-piperidin-1-ylsulfonyl-phenyl)-3H-purin-6-one Openeye Name: 2-amino-9-[2-methoxy-4-(1-piperidylsulfonyl)phenyl]-3H-purin-6-one CAS Name: 2-amino-9-[2-methoxy-4-(1-piperidinylsulfonyl)phenyl]-3H-purin-6-one IUPAC Name: 2-amino-9-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-3H-purin-6-one Traditional Name: 2-amino-9-(2-methoxy-4-piperidinosulfonyl-phenyl)-3H-purin-6-one Formula: C17H20N6O4S MolecularWeight: 404.4435

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C17H20N6O4S/c1-27-13-9-11(28(25,26)22-7-3-2-4-8-22)5-6-12(13)23-10-19-14-15(23)20-17(18)21-16(14)24/h5-6,9-10H,2-4,7-8H2,1H3,(H3,18,20,21,24)