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

Systemtic Name: 2-azanyl-9-[2-chloranyl-4-(4-methylpiperidin-1-yl)sulfonyl-phenyl]-3H-purin-6-one Openeye Name: 2-amino-9-[2-chloro-4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-3H-purin-6-one CAS Name: 2-amino-9-[2-chloro-4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[2-chloro-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3H-purin-6-one Traditional Name: 2-amino-9-[2-chloro-4-(4-methylpiperidino)sulfonyl-phenyl]-3H-purin-6-one Formula: C17H19ClN6O3S MolecularWeight: 422.88916

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN6O3S/c1-10-4-6-23(7-5-10)28(26,27)11-2-3-13(12(18)8-11)24-9-20-14-15(24)21-17(19)22-16(14)25/h2-3,8-10H,4-7H2,1H3,(H3,19,21,22,25)