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

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(3-phenylpropyl)xanthine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CCO)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C19H25N5O4/c1-22-16-15(17(27)21-19(22)28)24(9-5-8-14-6-3-2-4-7-14)18(20-16)23(10-12-25)11-13-26/h2-4,6-7,25-26H,5,8-13H2,1H3,(H,21,27,28)