(2R)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide

Systemtic Name: (2R)-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: (2R)-2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: (2R)-2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: (2R)-2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-veratryl-propionamide Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

C[C@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C17H19N5O3S/c1-10(26-17-21-9-12(7-18)15(19)22-17)16(23)20-8-11-4-5-13(24-2)14(6-11)25-3/h4-6,9-10H,8H2,1-3H3,(H,20,23)(H2,19,21,22)/t10-/m1/s1