8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-(3-methylbenzyl)xanthine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N(CCO)CCO)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N(CCO)CCO)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C19H25N5O4/c1-13-5-4-6-14(11-13)12-24-15-16(21(2)19(28)22(3)17(15)27)20-18(24)23(7-9-25)8-10-26/h4-6,11,25-26H,7-10,12H2,1-3H3