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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1NCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC1=NC2=C(N1NCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

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