1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)ethyl]purine-2,6-dione hydrochloride

Systemtic Name: 1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)ethyl]purine-2,6-dione hydrochloride Openeye Name: 1,3-dimethyl-7-[2-[(1-methyl-2-phenyl-ethyl)amino]ethyl]purine-2,6-dione hydrochloride CAS Name: 1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)ethyl]purine-2,6-dione hydrochloride IUPAC Name: 1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)ethyl]purine-2,6-dione hydrochloride Traditional Name: 1,3-dimethyl-7-[2-[(1-methyl-2-phenyl-ethyl)amino]ethyl]xanthine hydrochloride Formula: C18H24ClN5O2 MolecularWeight: 377.86846

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C.Cl

Isomeric SMILES

CC(CC1=CC=CC=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C.Cl

InChI

InChI=1S/C18H23N5O2.ClH/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2;/h4-8,12-13,19H,9-11H2,1-3H3;1H