8-[(3,4-dimethoxyphenyl)iminomethyl]-7-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-[(3,4-dimethoxyphenyl)iminomethyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(3,4-dimethoxyphenyl)iminomethyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(3,4-dimethoxyphenyl)iminomethyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(3,4-dimethoxyphenyl)iminomethyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(3,4-dimethoxyphenyl)iminomethyl]-7-methyl-1,3-dipropyl-xanthine Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=NC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=NC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C21H27N5O4/c1-6-10-25-19-18(20(27)26(11-7-2)21(25)28)24(3)17(23-19)13-22-14-8-9-15(29-4)16(12-14)30-5/h8-9,12-13H,6-7,10-11H2,1-5H3