7-(2-chloroethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 7-(2-chloroethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-(2-chloroethyl)-3-isobutyl-1-methyl-purine-2,6-dione CAS Name: 7-(2-chloroethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-(2-chloroethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-(2-chloroethyl)-3-isobutyl-1-methyl-xanthine Formula: C12H17ClN4O2 MolecularWeight: 284.74198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl

InChI

InChI=1S/C12H17ClN4O2/c1-8(2)6-17-10-9(11(18)15(3)12(17)19)16(5-4-13)7-14-10/h7-8H,4-6H2,1-3H3