3-methyl-8-[(3-oxidanylidene-4H-quinoxalin-2-yl)amino]-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[(3-oxidanylidene-4H-quinoxalin-2-yl)amino]-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 3-methyl-8-[(3-oxo-4H-quinoxalin-2-yl)amino]-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-8-[(3-oxo-4H-quinoxalin-2-yl)amino]-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-[(3-oxo-4H-quinoxalin-2-yl)amino]-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[(3-keto-4H-quinoxalin-2-yl)amino]-3-methyl-7-(3-phenylpropyl)xanthine Formula: C23H21N7O3 MolecularWeight: 443.45794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3=NC4=CC=CC=C4NC3=O)CCCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3=NC4=CC=CC=C4NC3=O)CCCC5=CC=CC=C5

InChI

InChI=1S/C23H21N7O3/c1-29-19-17(20(31)28-23(29)33)30(13-7-10-14-8-3-2-4-9-14)22(27-19)26-18-21(32)25-16-12-6-5-11-15(16)24-18/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,25,32)(H,24,26,27)(H,28,31,33)