N-cyclopropyl-4-methyl-3-[6-(4-methylpentan-2-ylamino)purin-9-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[6-(4-methylpentan-2-ylamino)purin-9-yl]benzamide Openeye Name: N-cyclopropyl-3-[6-(1,3-dimethylbutylamino)purin-9-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-(4-methylpentan-2-ylamino)-9-purinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[6-(4-methylpentan-2-ylamino)purin-9-yl]benzamide Traditional Name: N-cyclopropyl-3-[6-(1,3-dimethylbutylamino)purin-9-yl]-4-methyl-benzamide Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4NC(C)CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4NC(C)CC(C)C

InChI

InChI=1S/C22H28N6O/c1-13(2)9-15(4)26-20-19-21(24-11-23-20)28(12-25-19)18-10-16(6-5-14(18)3)22(29)27-17-7-8-17/h5-6,10-13,15,17H,7-9H2,1-4H3,(H,27,29)(H,23,24,26)