8-azanyl-7-(4-chlorophenyl)sulfonyl-1,3-bis(cyclopropylmethyl)purine-2,6-dione

Systemtic Name: 8-azanyl-7-(4-chlorophenyl)sulfonyl-1,3-bis(cyclopropylmethyl)purine-2,6-dione Openeye Name: 8-amino-7-(4-chlorophenyl)sulfonyl-1,3-bis(cyclopropylmethyl)purine-2,6-dione CAS Name: 8-amino-7-(4-chlorophenyl)sulfonyl-1,3-bis(cyclopropylmethyl)purine-2,6-dione IUPAC Name: 8-amino-7-(4-chlorophenyl)sulfonyl-1,3-bis(cyclopropylmethyl)purine-2,6-dione Traditional Name: 8-amino-7-(4-chlorophenyl)sulfonyl-1,3-bis(cyclopropylmethyl)xanthine Formula: C19H20ClN5O4S MolecularWeight: 449.9112

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN5O4S/c20-13-5-7-14(8-6-13)30(28,29)25-15-16(22-18(25)21)23(9-11-1-2-11)19(27)24(17(15)26)10-12-3-4-12/h5-8,11-12H,1-4,9-10H2,(H2,21,22)