1,3-dimethyl-7-[1-phenylpropan-2-yl(propan-2-yl)amino]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[1-phenylpropan-2-yl(propan-2-yl)amino]purine-2,6-dione Openeye Name: 7-[isopropyl-(1-methyl-2-phenyl-ethyl)amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[1-phenylpropan-2-yl(propan-2-yl)amino]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[1-phenylpropan-2-yl(propan-2-yl)amino]purine-2,6-dione Traditional Name: 7-[isopropyl-(1-methyl-2-phenyl-ethyl)amino]-1,3-dimethyl-xanthine Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)CC1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)N(C(C)CC1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H25N5O2/c1-13(2)24(14(3)11-15-9-7-6-8-10-15)23-12-20-17-16(23)18(25)22(5)19(26)21(17)4/h6-10,12-14H,11H2,1-5H3