potassium; 8-azanyl-1,3-bis(cyclopropylmethyl)-7-(phenylsulfonyl)purine-2,6-dione; 2-methylpropan-2-olate

Systemtic Name: potassium; 8-azanyl-1,3-bis(cyclopropylmethyl)-7-(phenylsulfonyl)purine-2,6-dione; 2-methylpropan-2-olate Openeye Name: potassium; 8-amino-7-(benzenesulfonyl)-1,3-bis(cyclopropylmethyl)purine-2,6-dione; 2-methylpropan-2-olate CAS Name: potassium; 8-amino-7-(benzenesulfonyl)-1,3-bis(cyclopropylmethyl)purine-2,6-dione; 2-methyl-2-propanolate IUPAC Name: potassium; 8-amino-7-(benzenesulfonyl)-1,3-bis(cyclopropylmethyl)purine-2,6-dione; 2-methylpropan-2-olate Traditional Name: potassium; 8-amino-7-besyl-1,3-bis(cyclopropylmethyl)xanthine; 2-methylpropan-2-olate Formula: C23H30KN5O5S MolecularWeight: 527.6781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[O-].C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)N(C(=N3)N)S(=O)(=O)C5=CC=CC=C5.[K+]

Isomeric SMILES

CC(C)(C)[O-].C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)N(C(=N3)N)S(=O)(=O)C5=CC=CC=C5.[K+]

InChI

InChI=1S/C19H21N5O4S.C4H9O.K/c20-18-21-16-15(24(18)29(27,28)14-4-2-1-3-5-14)17(25)23(11-13-8-9-13)19(26)22(16)10-12-6-7-12;1-4(2,3)5;/h1-5,12-13H,6-11H2,(H2,20,21);1-3H3;/q;-1;+1