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

Systemtic Name: 8-(furan-2-ylmethylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(2-furylmethylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(furan-2-ylmethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(2-furfurylamino)-3-methyl-xanthine Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C18H17N5O3/c1-22-15-14(16(24)21-18(22)25)23(11-12-6-3-2-4-7-12)17(20-15)19-10-13-8-5-9-26-13/h2-9H,10-11H2,1H3,(H,19,20)(H,21,24,25)