1,3,7-trimethyl-8-(1-phenylpropan-2-ylamino)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(1-phenylpropan-2-ylamino)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(1-methyl-2-phenyl-ethyl)amino]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(1-phenylpropan-2-ylamino)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(1-phenylpropan-2-ylamino)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[(1-methyl-2-phenyl-ethyl)amino]xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(CC1=CC=CC=C1)NC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H21N5O2/c1-11(10-12-8-6-5-7-9-12)18-16-19-14-13(20(16)2)15(23)22(4)17(24)21(14)3/h5-9,11H,10H2,1-4H3,(H,18,19)