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

Systemtic Name: 8-(3-ethoxypropylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(3-ethoxypropylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(3-ethoxypropylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(3-ethoxypropylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(3-ethoxypropylamino)-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOCCCNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H29N5O3/c1-4-29-15-9-13-22-20-23-18-17(19(27)25(3)21(28)24(18)2)26(20)14-8-12-16-10-6-5-7-11-16/h5-7,10-11H,4,8-9,12-15H2,1-3H3,(H,22,23)