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

Systemtic Name: 7-methyl-8-(phenylmethyl)-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-benzyl-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 7-methyl-8-(phenylmethyl)-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-benzyl-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-benzyl-7-methyl-1,3-dipropyl-xanthine Formula: C19H24N4O2 MolecularWeight: 340.41946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O2/c1-4-11-22-17-16(18(24)23(12-5-2)19(22)25)21(3)15(20-17)13-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3