8-[bis(2-hydroxyethyl)amino]-7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-[bis(2-hydroxyethyl)amino]-7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-[bis(2-hydroxyethyl)amino]-7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-xanthine Formula: C21H29N5O6 MolecularWeight: 447.48486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N(CCO)CCO)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N(CCO)CCO)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C21H29N5O6/c1-3-14-4-6-16(7-5-14)32-13-15(29)12-26-17-18(24(2)21(31)23-19(17)30)22-20(26)25(8-10-27)9-11-28/h4-7,15,27-29H,3,8-13H2,1-2H3,(H,23,30,31)