4-(8-oxidanylidene-7,9-dihydropurin-6-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(8-oxidanylidene-7,9-dihydropurin-6-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-(8-oxo-7,9-dihydropurin-6-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide CAS Name: 4-(8-oxo-7,9-dihydropurin-6-yl)-N-(4-phenoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(8-oxo-7,9-dihydropurin-6-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-(8-keto-7,9-dihydropurin-6-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide Formula: C22H21N7O3 MolecularWeight: 431.44724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2NC(=O)N3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2NC(=O)N3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C22H21N7O3/c30-21-26-18-19(27-21)23-14-24-20(18)28-10-12-29(13-11-28)22(31)25-15-6-8-17(9-7-15)32-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,25,31)(H2,23,24,26,27,30)