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

Systemtic Name: 2-azanyl-9-(2-chloranyl-4-piperidin-1-ylsulfonyl-phenyl)-3H-purin-6-one Openeye Name: 2-amino-9-[2-chloro-4-(1-piperidylsulfonyl)phenyl]-3H-purin-6-one CAS Name: 2-amino-9-[2-chloro-4-(1-piperidinylsulfonyl)phenyl]-3H-purin-6-one IUPAC Name: 2-amino-9-(2-chloro-4-piperidin-1-ylsulfonylphenyl)-3H-purin-6-one Traditional Name: 2-amino-9-(2-chloro-4-piperidinosulfonyl-phenyl)-3H-purin-6-one Formula: C16H17ClN6O3S MolecularWeight: 408.86258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NC4=C3NC(=NC4=O)N)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NC4=C3NC(=NC4=O)N)Cl

InChI

InChI=1S/C16H17ClN6O3S/c17-11-8-10(27(25,26)22-6-2-1-3-7-22)4-5-12(11)23-9-19-13-14(23)20-16(18)21-15(13)24/h4-5,8-9H,1-3,6-7H2,(H3,18,20,21,24)