[4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[6-(allylamino)-9-benzyl-purin-2-yl]piperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-[9-(phenylmethyl)-6-(prop-2-enylamino)-2-purinyl]-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[9-benzyl-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[6-(allylamino)-9-benzyl-purin-2-yl]piperazino]-(4-pyridyl)methanone Formula: C25H26N8O MolecularWeight: 454.52694

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=NC=C5

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=NC=C5

InChI

InChI=1S/C25H26N8O/c1-2-10-27-22-21-23(33(18-28-21)17-19-6-4-3-5-7-19)30-25(29-22)32-15-13-31(14-16-32)24(34)20-8-11-26-12-9-20/h2-9,11-12,18H,1,10,13-17H2,(H,27,29,30)