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

Systemtic Name: 8-methyl-9-(phenylmethyl)-1-propan-2-yl-3H-purine-2,6-dione Openeye Name: 9-benzyl-1-isopropyl-8-methyl-3H-purine-2,6-dione CAS Name: 8-methyl-9-(phenylmethyl)-1-propan-2-yl-3H-purine-2,6-dione IUPAC Name: 9-benzyl-8-methyl-1-propan-2-yl-3H-purine-2,6-dione Traditional Name: 9-benzyl-1-isopropyl-8-methyl-xanthine Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)NC(=O)N(C2=O)C(C)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)NC(=O)N(C2=O)C(C)C

InChI

InChI=1S/C16H18N4O2/c1-10(2)20-15(21)13-14(18-16(20)22)19(11(3)17-13)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,18,22)