(3R,4S)-1-[2-(7-azanyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-[(3-chlorophenyl)sulfanylmethyl]pyrrolidin-3-ol

Systemtic Name: (3R,4S)-1-[2-(7-azanyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-[(3-chlorophenyl)sulfanylmethyl]pyrrolidin-3-ol Openeye Name: (3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-[(3-chlorophenyl)sulfanylmethyl]pyrrolidin-3-ol CAS Name: (3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-[[(3-chlorophenyl)thio]methyl]-3-pyrrolidinol IUPAC Name: (3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-[(3-chlorophenyl)sulfanylmethyl]pyrrolidin-3-ol Traditional Name: (3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-[[(3-chlorophenyl)thio]methyl]pyrrolidin-3-ol Formula: C18H21ClN6OS MolecularWeight: 404.91694

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1CCC2=C3C(=NN2)C(=NC=N3)N)O)CSC4=CC(=CC=C4)Cl

Isomeric SMILES

C1[C@@H]([C@H](CN1CCC2=C3C(=NN2)C(=NC=N3)N)O)CSC4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H21ClN6OS/c19-12-2-1-3-13(6-12)27-9-11-7-25(8-15(11)26)5-4-14-16-17(24-23-14)18(20)22-10-21-16/h1-3,6,10-11,15,26H,4-5,7-9H2,(H,23,24)(H2,20,21,22)/t11-,15+/m1/s1