2-[[(2R)-1-oxidanylbutan-2-yl]amino]-6-[(phenylmethyl)amino]-9-propan-2-yl-purine-8-carbonitrile

Systemtic Name: 2-[[(2R)-1-oxidanylbutan-2-yl]amino]-6-[(phenylmethyl)amino]-9-propan-2-yl-purine-8-carbonitrile Openeye Name: 6-(benzylamino)-2-[[(1R)-1-(hydroxymethyl)propyl]amino]-9-isopropyl-purine-8-carbonitrile CAS Name: 2-[[(2R)-1-hydroxybutan-2-yl]amino]-6-[(phenylmethyl)amino]-9-propan-2-yl-8-purinecarbonitrile IUPAC Name: 6-(benzylamino)-2-[[(2R)-1-hydroxybutan-2-yl]amino]-9-propan-2-ylpurine-8-carbonitrile Traditional Name: 6-(benzylamino)-9-isopropyl-2-[[(1R)-1-methylolpropyl]amino]purine-8-carbonitrile Formula: C20H25N7O MolecularWeight: 379.4588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=C(N2C(C)C)C#N

Isomeric SMILES

CC[C@H](CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=C(N2C(C)C)C#N

InChI

InChI=1S/C20H25N7O/c1-4-15(12-28)23-20-25-18(22-11-14-8-6-5-7-9-14)17-19(26-20)27(13(2)3)16(10-21)24-17/h5-9,13,15,28H,4,11-12H2,1-3H3,(H2,22,23,25,26)/t15-/m1/s1