1,3-dimethyl-7-[3-[4-(2-phenylprop-2-enoyl)-1,4-diazepan-1-yl]propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-[4-(2-phenylprop-2-enoyl)-1,4-diazepan-1-yl]propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-[4-(2-phenylprop-2-enoyl)-1,4-diazepan-1-yl]propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-[4-(1-oxo-2-phenylprop-2-enyl)-1,4-diazepan-1-yl]propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-[4-(2-phenylprop-2-enoyl)-1,4-diazepan-1-yl]propyl]purine-2,6-dione Traditional Name: 7-[3-(4-atropoyl-1,4-diazepan-1-yl)propyl]-1,3-dimethyl-xanthine Formula: C24H30N6O3 MolecularWeight: 450.5334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCCN(CC3)C(=O)C(=C)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCCN(CC3)C(=O)C(=C)C4=CC=CC=C4

InChI

InChI=1S/C24H30N6O3/c1-18(19-9-5-4-6-10-19)22(31)29-13-7-11-28(15-16-29)12-8-14-30-17-25-21-20(30)23(32)27(3)24(33)26(21)2/h4-6,9-10,17H,1,7-8,11-16H2,2-3H3