4-methoxy-N-[2-[[(2R)-1-oxidanylbutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]benzamide

Systemtic Name: 4-methoxy-N-[2-[[(2R)-1-oxidanylbutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]benzamide Openeye Name: N-[2-[[(1R)-1-(hydroxymethyl)propyl]amino]-9-isopropyl-purin-6-yl]-4-methoxy-benzamide CAS Name: N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-9-propan-2-yl-6-purinyl]-4-methoxybenzamide IUPAC Name: N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]-4-methoxybenzamide Traditional Name: N-[9-isopropyl-2-[[(1R)-1-methylolpropyl]amino]purin-6-yl]-4-methoxy-benzamide Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NC(=O)C3=CC=C(C=C3)OC)N=CN2C(C)C

Isomeric SMILES

CC[C@H](CO)NC1=NC2=C(C(=N1)NC(=O)C3=CC=C(C=C3)OC)N=CN2C(C)C

InChI

InChI=1S/C20H26N6O3/c1-5-14(10-27)22-20-24-17(16-18(25-20)26(11-21-16)12(2)3)23-19(28)13-6-8-15(29-4)9-7-13/h6-9,11-12,14,27H,5,10H2,1-4H3,(H2,22,23,24,25,28)/t14-/m1/s1