8-chloranyl-1,3-bis(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-bis(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-chloro-1,3-diisobutyl-purine-2,6-dione CAS Name: 8-chloro-1,3-bis(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-chloro-1,3-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 7-benzyl-8-chloro-1,3-diisobutyl-xanthine Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CC(C)C)N(C(=N2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CC(C)C)N(C(=N2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H25ClN4O2/c1-13(2)10-24-17-16(18(26)25(20(24)27)11-14(3)4)23(19(21)22-17)12-15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3