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

Systemtic Name: 3-methyl-1-(2-morpholin-4-ylethyl)-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Openeye Name: 7-allyl-3-methyl-1-(2-morpholinoethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione CAS Name: 3-methyl-1-[2-(4-morpholinyl)ethyl]-7-prop-2-enyl-8-(3,4,5-trimethyl-1-pyrazolyl)purine-2,6-dione IUPAC Name: 3-methyl-1-(2-morpholin-4-ylethyl)-7-prop-2-enyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione Traditional Name: 7-allyl-3-methyl-1-(2-morpholinoethyl)-8-(3,4,5-trimethylpyrazol-1-yl)xanthine Formula: C21H29N7O3 MolecularWeight: 427.50006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C)C2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)CCN4CCOCC4)C

Isomeric SMILES

CC1=C(N(N=C1C)C2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)CCN4CCOCC4)C

InChI

InChI=1S/C21H29N7O3/c1-6-7-26-17-18(22-20(26)28-16(4)14(2)15(3)23-28)24(5)21(30)27(19(17)29)9-8-25-10-12-31-13-11-25/h6H,1,7-13H2,2-5H3