7-(2-methyl-1,3-dioxolan-2-yl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methyl-1,3-dioxolan-2-yl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methyl-1,3-dioxolan-2-yl)purine-2,6-dione CAS Name: 7-(2-methyl-1,3-dioxolan-2-yl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methyl-1,3-dioxolan-2-yl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-methyl-1,3-dioxolan-2-yl)xanthine Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCCO1)N2C=NC3=C2C(=O)NC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

CC1(OCCO1)N2C=NC3=C2C(=O)NC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C16H16N4O4/c1-16(23-7-8-24-16)20-10-17-13-12(20)14(21)18-15(22)19(13)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,18,21,22)