(2S)-2-azanyl-N-[(2S,3S,4R,5R)-5-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-3-(4-methoxyphenyl)propanamide

Systemtic Name: (2S)-2-azanyl-N-[(2S,3S,4R,5R)-5-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-3-(4-methoxyphenyl)propanamide Openeye Name: (2S)-2-amino-N-[(2S,3S,4R,5R)-5-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propanamide CAS Name: (2S)-2-amino-N-[(2S,3S,4R,5R)-5-[4-(dimethylamino)-7-pyrrolo[2,3-d]pyrimidinyl]-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]-3-(4-methoxyphenyl)propanamide IUPAC Name: (2S)-2-amino-N-[(2S,3S,4R,5R)-5-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide Traditional Name: (2S)-2-amino-N-[(2S,3S,4R,5R)-5-[4-(dimethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propionamide Formula: C23H30N6O5 MolecularWeight: 470.5215

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1C=CN2C3C(C(C(O3)CO)NC(=O)C(CC4=CC=C(C=C4)OC)N)O

Isomeric SMILES

CN(C)C1=NC=NC2=C1C=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)OC)N)O

InChI

InChI=1S/C23H30N6O5/c1-28(2)20-15-8-9-29(21(15)26-12-25-20)23-19(31)18(17(11-30)34-23)27-22(32)16(24)10-13-4-6-14(33-3)7-5-13/h4-9,12,16-19,23,30-31H,10-11,24H2,1-3H3,(H,27,32)/t16-,17+,18+,19+,23+/m0/s1