3-methyl-7-(phenylmethyl)-8-(pyridin-3-ylmethylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-(phenylmethyl)-8-(pyridin-3-ylmethylamino)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-(3-pyridylmethylamino)purine-2,6-dione CAS Name: 3-methyl-7-(phenylmethyl)-8-(3-pyridinylmethylamino)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-(3-pyridylmethylamino)xanthine Formula: C19H18N6O2 MolecularWeight: 362.38522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C19H18N6O2/c1-24-16-15(17(26)23-19(24)27)25(12-13-6-3-2-4-7-13)18(22-16)21-11-14-8-5-9-20-10-14/h2-10H,11-12H2,1H3,(H,21,22)(H,23,26,27)