8-azanyl-2-(2-propoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)purin-6-one

Systemtic Name: 8-azanyl-2-(2-propoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)purin-6-one Openeye Name: 8-amino-2-(2-propoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)purin-6-one CAS Name: 8-amino-2-[2-propoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-6-purinone IUPAC Name: 8-amino-2-(2-propoxy-5-pyrrolidin-1-ylsulfonylphenyl)purin-6-one Traditional Name: 8-amino-2-(2-propoxy-5-pyrrolidinosulfonyl-phenyl)purin-6-one Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C3=NC(=O)C4=NC(=NC4=N3)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C3=NC(=O)C4=NC(=NC4=N3)N

InChI

InChI=1S/C18H20N6O4S/c1-2-9-28-13-6-5-11(29(26,27)24-7-3-4-8-24)10-12(13)15-21-16-14(17(25)22-15)20-18(19)23-16/h5-6,10H,2-4,7-9H2,1H3,(H2,19,21,22,23,25)