8-[bis(hydroxymethyl)amino]-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[bis(hydroxymethyl)amino]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[bis(hydroxymethyl)amino]-3-methyl-purine-2,6-dione CAS Name: 8-[bis(hydroxymethyl)amino]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[bis(hydroxymethyl)amino]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(dimethylolamino)-3-methyl-xanthine Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CO)CO)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CO)CO)CC3=CC=CC=C3

InChI

InChI=1S/C15H17N5O4/c1-18-12-11(13(23)17-15(18)24)20(7-10-5-3-2-4-6-10)14(16-12)19(8-21)9-22/h2-6,21-22H,7-9H2,1H3,(H,17,23,24)