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

Systemtic Name: 1,3,7-trimethyl-8-(3-phenylpropylamino)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(3-phenylpropylamino)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(3-phenylpropylamino)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(3-phenylpropylamino)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(3-phenylpropylamino)xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NCCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H21N5O2/c1-20-13-14(21(2)17(24)22(3)15(13)23)19-16(20)18-11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,18,19)