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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C(=N2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C(=N2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H25ClN4O2/c1-3-5-12-23-17-16(18(26)24(20(23)27)13-6-4-2)25(19(21)22-17)14-15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3