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

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[bis(2-hydroxyethyl)amino]-3-methyl-purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[bis(2-hydroxyethyl)amino]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[bis(2-hydroxyethyl)amino]-3-methyl-xanthine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4/c1-20-14-13(15(25)19-17(20)26)22(11-12-5-3-2-4-6-12)16(18-14)21(7-9-23)8-10-24/h2-6,23-24H,7-11H2,1H3,(H,19,25,26)