7-[[(3S,4R)-3-(methylsulfanylmethyl)-4-oxidanyl-pyrrolidin-1-yl]methyl]-1,7-dihydropyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 7-[[(3S,4R)-3-(methylsulfanylmethyl)-4-oxidanyl-pyrrolidin-1-yl]methyl]-1,7-dihydropyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 7-[[(3R,4S)-3-hydroxy-4-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,7-dihydropyrrolo[3,2-d]pyrimidin-4-one CAS Name: 7-[[(3R,4S)-3-hydroxy-4-[(methylthio)methyl]-1-pyrrolidinyl]methyl]-1,7-dihydropyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 7-[[(3R,4S)-3-hydroxy-4-(methylsulfanylmethyl)pyrrolidin-1-yl]methyl]-1,7-dihydropyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 7-[[(3R,4S)-3-hydroxy-4-[(methylthio)methyl]pyrrolidino]methyl]-1,7-dihydropyrrolo[3,2-d]pyrimidin-4-one Formula: C13H18N4O2S MolecularWeight: 294.37262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1CN(CC1O)CC2C=NC3=C2NC=NC3=O

Isomeric SMILES

CSC[C@H]1CN(C[C@@H]1O)CC2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7-10,18H,3-6H2,1H3,(H,15,16,19)/t8?,9-,10+/m1/s1