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

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-[bis(2-hydroxyethyl)amino]-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[bis(2-hydroxyethyl)amino]-7-isoamyl-3-methyl-xanthine Formula: C15H25N5O4 MolecularWeight: 339.3901

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N(CCO)CCO)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N(CCO)CCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H25N5O4/c1-10(2)4-5-20-11-12(18(3)15(24)17-13(11)23)16-14(20)19(6-8-21)7-9-22/h10,21-22H,4-9H2,1-3H3,(H,17,23,24)