1-[3-(dimethylamino)propyl]-7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione

Systemtic Name: 1-[3-(dimethylamino)propyl]-7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione Openeye Name: 1-[3-(dimethylamino)propyl]-7-[(4-methoxyphenyl)methyl]-3-propyl-purine-2,6-dione CAS Name: 1-[3-(dimethylamino)propyl]-7-[(4-methoxyphenyl)methyl]-3-propylpurine-2,6-dione IUPAC Name: 1-[3-(dimethylamino)propyl]-7-[(4-methoxyphenyl)methyl]-3-propylpurine-2,6-dione Traditional Name: 1-[3-(dimethylamino)propyl]-7-p-anisyl-3-propyl-xanthine Formula: C21H29N5O3 MolecularWeight: 399.48666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCCN(C)C)N(C=N2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCCN(C)C)N(C=N2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H29N5O3/c1-5-11-25-19-18(20(27)26(21(25)28)13-6-12-23(2)3)24(15-22-19)14-16-7-9-17(29-4)10-8-16/h7-10,15H,5-6,11-14H2,1-4H3