1-(2-ethoxyethyl)-3-methyl-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione

Systemtic Name: 1-(2-ethoxyethyl)-3-methyl-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-allyl-1-(2-ethoxyethyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 1-(2-ethoxyethyl)-3-methyl-7-prop-2-enyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 1-(2-ethoxyethyl)-3-methyl-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-allyl-1-(2-ethoxyethyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C19H26N6O3 MolecularWeight: 386.44814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=O)C2=C(N=C(N2CC=C)N3C(=C(C(=N3)C)C)C)N(C1=O)C

Isomeric SMILES

CCOCCN1C(=O)C2=C(N=C(N2CC=C)N3C(=C(C(=N3)C)C)C)N(C1=O)C

InChI

InChI=1S/C19H26N6O3/c1-7-9-23-15-16(20-18(23)25-14(5)12(3)13(4)21-25)22(6)19(27)24(17(15)26)10-11-28-8-2/h7H,1,8-11H2,2-6H3