2-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-(phenylmethylsulfanyl)butan-1-ol

Systemtic Name: 2-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-(phenylmethylsulfanyl)butan-1-ol Openeye Name: 3-benzylsulfanyl-2-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butan-1-ol CAS Name: 2-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]-3-(phenylmethylthio)-1-butanol IUPAC Name: 3-benzylsulfanyl-2-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butan-1-ol Traditional Name: 3-(benzylthio)-2-[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butan-1-ol Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NC(CO)C(C)SCC3=CC=CC=C3)NC(=C2)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=N1)NC(CO)C(C)SCC3=CC=CC=C3)NC(=C2)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4OS/c1-16(30-15-18-9-5-3-6-10-18)22(14-29)28-24-23-21(25-17(2)26-24)13-20(27-23)19-11-7-4-8-12-19/h3-13,16,22,27,29H,14-15H2,1-2H3,(H,25,26,28)