2-azanyl-9-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3H-purin-6-one Openeye Name: 2-amino-9-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-3H-purin-6-one CAS Name: 2-amino-9-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3H-purin-6-one Traditional Name: 2-amino-9-[4-(4-methylpiperidino)sulfonylphenyl]-3H-purin-6-one Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C17H20N6O3S/c1-11-6-8-22(9-7-11)27(25,26)13-4-2-12(3-5-13)23-10-19-14-15(23)20-17(18)21-16(14)24/h2-5,10-11H,6-9H2,1H3,(H3,18,20,21,24)