1,3-dimethyl-8-[(phenylmethyl)amino]-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(phenylmethyl)amino]-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(benzylamino)-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(phenylmethyl)amino]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(benzylamino)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-isopropyl-1,3-dimethyl-xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

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