4-(2-azanyl-7H-purin-6-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7H-purin-6-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-(2-amino-7H-purin-6-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide CAS Name: 4-(2-amino-7H-purin-6-yl)-N-(4-phenoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7H-purin-6-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-(2-amino-7H-purin-6-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide Formula: C22H22N8O2 MolecularWeight: 430.46248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N8O2/c23-21-27-19-18(24-14-25-19)20(28-21)29-10-12-30(13-11-29)22(31)26-15-6-8-17(9-7-15)32-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,26,31)(H3,23,24,25,27,28)