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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC(C)NC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

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