7-[(4-tert-butylphenyl)methyl]-8-chloranyl-1,3-bis(cyclopropylmethyl)purine-2,6-dione

Systemtic Name: 7-[(4-tert-butylphenyl)methyl]-8-chloranyl-1,3-bis(cyclopropylmethyl)purine-2,6-dione Openeye Name: 7-[(4-tert-butylphenyl)methyl]-8-chloro-1,3-bis(cyclopropylmethyl)purine-2,6-dione CAS Name: 7-[(4-tert-butylphenyl)methyl]-8-chloro-1,3-bis(cyclopropylmethyl)purine-2,6-dione IUPAC Name: 7-[(4-tert-butylphenyl)methyl]-8-chloro-1,3-bis(cyclopropylmethyl)purine-2,6-dione Traditional Name: 7-(4-tert-butylbenzyl)-8-chloro-1,3-bis(cyclopropylmethyl)xanthine Formula: C24H29ClN4O2 MolecularWeight: 440.96566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)CC4CC4)CC5CC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)CC4CC4)CC5CC5

InChI

InChI=1S/C24H29ClN4O2/c1-24(2,3)18-10-8-17(9-11-18)12-27-19-20(26-22(27)25)28(13-15-4-5-15)23(31)29(21(19)30)14-16-6-7-16/h8-11,15-16H,4-7,12-14H2,1-3H3