7-(2-chloroethyl)-3-methyl-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 7-(2-chloroethyl)-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-(2-chloroethyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-chloroethyl)-3-methyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-(2-chloroethyl)-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-(2-chloroethyl)-3-methyl-xanthine Formula: C11H14ClN5O2 MolecularWeight: 283.71416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)CCCl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)CCCl

InChI

InChI=1S/C11H14ClN5O2/c1-3-5-13-10-14-8-7(17(10)6-4-12)9(18)15-11(19)16(8)2/h3H,1,4-6H2,2H3,(H,13,14)(H,15,18,19)