8-(dibutylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(dibutylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(dibutylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(dibutylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(dibutylamino)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(dibutylamino)-3-methyl-xanthine Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCN(CCCC)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H29N5O2/c1-4-6-13-25(14-7-5-2)20-22-18-17(19(27)23-21(28)24(18)3)26(20)15-16-11-9-8-10-12-16/h8-12H,4-7,13-15H2,1-3H3,(H,23,27,28)