8-(butylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(butylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(butylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(butylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-(butylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-(butylamino)-3,7-dimethyl-xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2/c1-4-5-11-19-17-20-15-14(21(17)2)16(24)23(18(25)22(15)3)12-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3,(H,19,20)