3-[[8-methylsulfanyl-6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]propan-1-ol

Systemtic Name: 3-[[8-methylsulfanyl-6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]propan-1-ol Openeye Name: 3-[[6-(benzylamino)-9-isopropyl-8-methylsulfanyl-purin-2-yl]amino]propan-1-ol CAS Name: 3-[[8-(methylthio)-6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-propanol IUPAC Name: 3-[[6-(benzylamino)-8-methylsulfanyl-9-propan-2-ylpurin-2-yl]amino]propan-1-ol Traditional Name: 3-[[6-(benzylamino)-9-isopropyl-8-(methylthio)purin-2-yl]amino]propan-1-ol Formula: C19H26N6OS MolecularWeight: 386.51434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=NC(=N2)NCCCO)NCC3=CC=CC=C3)N=C1SC

Isomeric SMILES

CC(C)N1C2=C(C(=NC(=N2)NCCCO)NCC3=CC=CC=C3)N=C1SC

InChI

InChI=1S/C19H26N6OS/c1-13(2)25-17-15(22-19(25)27-3)16(21-12-14-8-5-4-6-9-14)23-18(24-17)20-10-7-11-26/h4-6,8-9,13,26H,7,10-12H2,1-3H3,(H2,20,21,23,24)