8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(CCO)CCO)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(CCO)CCO)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H25N5O4/c1-24-19-18(20(30)25(2)22(24)31)27(21(23-19)26(10-12-28)11-13-29)14-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,28-29H,10-14H2,1-2H3