2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[3-(5-piperazin-1-ylcarbonylthiophen-2-yl)phenyl]ethanamide

Systemtic Name: 2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[3-(5-piperazin-1-ylcarbonylthiophen-2-yl)phenyl]ethanamide Openeye Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-N-[3-[5-(piperazine-1-carbonyl)-2-thienyl]phenyl]acetamide CAS Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-N-[3-[5-[oxo(1-piperazinyl)methyl]-2-thiophenyl]phenyl]acetamide IUPAC Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-N-[3-[5-(piperazine-1-carbonyl)thiophen-2-yl]phenyl]acetamide Traditional Name: 2-(2-amino-6-keto-3H-purin-9-yl)-N-[3-[5-(piperazine-1-carbonyl)-2-thienyl]phenyl]acetamide Formula: C22H22N8O3S MolecularWeight: 478.52688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC=C(S2)C3=CC(=CC=C3)NC(=O)CN4C=NC5=C4NC(=NC5=O)N

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC=C(S2)C3=CC(=CC=C3)NC(=O)CN4C=NC5=C4NC(=NC5=O)N

InChI

InChI=1S/C22H22N8O3S/c23-22-27-19-18(20(32)28-22)25-12-30(19)11-17(31)26-14-3-1-2-13(10-14)15-4-5-16(34-15)21(33)29-8-6-24-7-9-29/h1-5,10,12,24H,6-9,11H2,(H,26,31)(H3,23,27,28,32)