8-[2-hydroxyethyl-(phenylmethyl)amino]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 8-[2-hydroxyethyl-(phenylmethyl)amino]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-[2-hydroxyethyl-(phenylmethyl)amino]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-(2-methylallyl)xanthine Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1N(CCO)CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1N(CCO)CC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H23N5O3/c1-13(2)11-24-15-16(22(3)19(27)21-17(15)26)20-18(24)23(9-10-25)12-14-7-5-4-6-8-14/h4-8,25H,1,9-12H2,2-3H3,(H,21,26,27)