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

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CCO)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CCO)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H23N5O4/c1-24-18-17(19(29)23-21(24)30)26(20(22-18)25(9-11-27)10-12-28)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,27-28H,9-13H2,1H3,(H,23,29,30)