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

Systemtic Name: 8-azanyl-1,3-bis(cyclopropylmethyl)-7-(phenylsulfonyl)purine-2,6-dione Openeye Name: 8-amino-7-(benzenesulfonyl)-1,3-bis(cyclopropylmethyl)purine-2,6-dione CAS Name: 8-amino-7-(benzenesulfonyl)-1,3-bis(cyclopropylmethyl)purine-2,6-dione IUPAC Name: 8-amino-7-(benzenesulfonyl)-1,3-bis(cyclopropylmethyl)purine-2,6-dione Traditional Name: 8-amino-7-besyl-1,3-bis(cyclopropylmethyl)xanthine Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)N(C(=N3)N)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)N(C(=N3)N)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C19H21N5O4S/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/h1-5,12-13H,6-11H2,(H2,20,21)