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

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-nonyl-xanthine Formula: C19H33N5O4 MolecularWeight: 395.49642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1N(CCO)CCO)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1N(CCO)CCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H33N5O4/c1-3-4-5-6-7-8-9-10-24-15-16(22(2)19(28)21-17(15)27)20-18(24)23(11-13-25)12-14-26/h25-26H,3-14H2,1-2H3,(H,21,27,28)