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

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-[bis(2-hydroxyethyl)amino]-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-[bis(2-hydroxyethyl)amino]-7-hexyl-3-methyl-xanthine Formula: C16H27N5O4 MolecularWeight: 353.41668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N(CCO)CCO)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N(CCO)CCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H27N5O4/c1-3-4-5-6-7-21-12-13(19(2)16(25)18-14(12)24)17-15(21)20(8-10-22)9-11-23/h22-23H,3-11H2,1-2H3,(H,18,24,25)