2-[[6-(3-aminophenyl)sulfanyl-9-propan-2-yl-purin-2-yl]amino]-3-methyl-butan-1-ol

Systemtic Name: 2-[[6-(3-aminophenyl)sulfanyl-9-propan-2-yl-purin-2-yl]amino]-3-methyl-butan-1-ol Openeye Name: 2-[[6-(3-aminophenyl)sulfanyl-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol CAS Name: 2-[[6-[(3-aminophenyl)thio]-9-propan-2-yl-2-purinyl]amino]-3-methyl-1-butanol IUPAC Name: 2-[[6-(3-aminophenyl)sulfanyl-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol Traditional Name: 2-[[6-[(3-aminophenyl)thio]-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol Formula: C19H26N6OS MolecularWeight: 386.51434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC1=NC2=C(C(=N1)SC3=CC=CC(=C3)N)N=CN2C(C)C

Isomeric SMILES

CC(C)C(CO)NC1=NC2=C(C(=N1)SC3=CC=CC(=C3)N)N=CN2C(C)C

InChI

InChI=1S/C19H26N6OS/c1-11(2)15(9-26)22-19-23-17-16(21-10-25(17)12(3)4)18(24-19)27-14-7-5-6-13(20)8-14/h5-8,10-12,15,26H,9,20H2,1-4H3,(H,22,23,24)