[4-[[9-phenyl-2-(quinolin-3-ylamino)purin-6-yl]amino]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[[9-phenyl-2-(quinolin-3-ylamino)purin-6-yl]amino]phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[[9-phenyl-2-(3-quinolylamino)purin-6-yl]amino]phenyl]-(1-piperidyl)methanone CAS Name: [4-[[9-phenyl-2-(3-quinolinylamino)-6-purinyl]amino]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[[9-phenyl-2-(quinolin-3-ylamino)purin-6-yl]amino]phenyl]-piperidin-1-ylmethanone Traditional Name: [4-[[9-phenyl-2-(3-quinolylamino)purin-6-yl]amino]phenyl]-piperidino-methanone Formula: C32H28N8O MolecularWeight: 540.61772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC(=NC4=C3N=CN4C5=CC=CC=C5)NC6=CC7=CC=CC=C7N=C6

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC(=NC4=C3N=CN4C5=CC=CC=C5)NC6=CC7=CC=CC=C7N=C6

InChI

InChI=1S/C32H28N8O/c41-31(39-17-7-2-8-18-39)22-13-15-24(16-14-22)35-29-28-30(40(21-34-28)26-10-3-1-4-11-26)38-32(37-29)36-25-19-23-9-5-6-12-27(23)33-20-25/h1,3-6,9-16,19-21H,2,7-8,17-18H2,(H2,35,36,37,38)