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

Systemtic Name: 8-(butylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(butylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(butylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(butylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(butylamino)-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H27N5O2/c1-4-5-13-21-19-22-17-16(18(26)24(3)20(27)23(17)2)25(19)14-9-12-15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-14H2,1-3H3,(H,21,22)