3-methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione Openeye Name: 8-(4-allylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-7-(3-phenylpropyl)-8-(4-prop-2-enyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-phenylpropyl)-8-(4-prop-2-enylpiperazin-1-yl)purine-2,6-dione Traditional Name: 8-(4-allylpiperazino)-3-methyl-7-(3-phenylpropyl)xanthine Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC=C)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC=C)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H28N6O2/c1-3-11-26-13-15-27(16-14-26)21-23-19-18(20(29)24-22(30)25(19)2)28(21)12-7-10-17-8-5-4-6-9-17/h3-6,8-9H,1,7,10-16H2,2H3,(H,24,29,30)