8-chloranyl-7-(phenylmethyl)-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-(phenylmethyl)-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-benzyl-8-chloro-1,3-dipropyl-purine-2,6-dione CAS Name: 8-chloro-7-(phenylmethyl)-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-benzyl-8-chloro-1,3-dipropylpurine-2,6-dione Traditional Name: 7-benzyl-8-chloro-1,3-dipropyl-xanthine Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C18H21ClN4O2/c1-3-10-21-15-14(16(24)22(11-4-2)18(21)25)23(17(19)20-15)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3