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

Systemtic Name: 2-azanyl-9-[2-methoxy-4-(4-methylpiperidin-1-yl)sulfonyl-phenyl]-3H-purin-6-one Openeye Name: 2-amino-9-[2-methoxy-4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-3H-purin-6-one CAS Name: 2-amino-9-[2-methoxy-4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[2-methoxy-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3H-purin-6-one Traditional Name: 2-amino-9-[2-methoxy-4-(4-methylpiperidino)sulfonyl-phenyl]-3H-purin-6-one Formula: C18H22N6O4S MolecularWeight: 418.47008

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O4S/c1-11-5-7-23(8-6-11)29(26,27)12-3-4-13(14(9-12)28-2)24-10-20-15-16(24)21-18(19)22-17(15)25/h3-4,9-11H,5-8H2,1-2H3,(H3,19,21,22,25)