7-(2-methoxyethyl)-8-(2-phenyl-1,2,3-triazol-4-yl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-8-(2-phenyl-1,2,3-triazol-4-yl)-3-propyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-8-(2-phenyltriazol-4-yl)-3-propyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-(2-phenyl-4-triazolyl)-3-propylpurine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-8-(2-phenyltriazol-4-yl)-3-propylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-8-(2-phenyltriazol-4-yl)-3-propyl-xanthine Formula: C19H21N7O3 MolecularWeight: 395.41514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=NN(N=C3)C4=CC=CC=C4)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=NN(N=C3)C4=CC=CC=C4)CCOC

InChI

InChI=1S/C19H21N7O3/c1-3-9-25-17-15(18(27)22-19(25)28)24(10-11-29-2)16(21-17)14-12-20-26(23-14)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,22,27,28)