9-(phenylmethyl)-8-propan-2-yl-1-propyl-3H-purine-2,6-dione

Systemtic Name: 9-(phenylmethyl)-8-propan-2-yl-1-propyl-3H-purine-2,6-dione Openeye Name: 9-benzyl-8-isopropyl-1-propyl-3H-purine-2,6-dione CAS Name: 9-(phenylmethyl)-8-propan-2-yl-1-propyl-3H-purine-2,6-dione IUPAC Name: 9-benzyl-8-propan-2-yl-1-propyl-3H-purine-2,6-dione Traditional Name: 9-benzyl-8-isopropyl-1-propyl-xanthine Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N(C(=N2)C(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N(C(=N2)C(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O2/c1-4-10-21-17(23)14-16(20-18(21)24)22(15(19-14)12(2)3)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,20,24)