7-(2-chloroethyl)-8-phenyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 7-(2-chloroethyl)-8-phenyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-(2-chloroethyl)-8-phenyl-1,3-dipropyl-purine-2,6-dione CAS Name: 7-(2-chloroethyl)-8-phenyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-(2-chloroethyl)-8-phenyl-1,3-dipropylpurine-2,6-dione Traditional Name: 7-(2-chloroethyl)-8-phenyl-1,3-dipropyl-xanthine Formula: C19H23ClN4O2 MolecularWeight: 374.86452

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CC=CC=C3)CCCl

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CC=CC=C3)CCCl

InChI

InChI=1S/C19H23ClN4O2/c1-3-11-23-17-15(18(25)24(12-4-2)19(23)26)22(13-10-20)16(21-17)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3