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

Systemtic Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(3-methylbenzyl)xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N(CCO)CCO)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N(CCO)CCO)N(C(=O)NC3=O)C

InChI

InChI=1S/C18H23N5O4/c1-12-4-3-5-13(10-12)11-23-14-15(21(2)18(27)20-16(14)26)19-17(23)22(6-8-24)7-9-25/h3-5,10,24-25H,6-9,11H2,1-2H3,(H,20,26,27)