(2R)-5-azanyl-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-5-oxidanylidene-pentanoate

Systemtic Name: (2R)-5-azanyl-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-5-oxidanylidene-pentanoate Openeye Name: (2R)-5-amino-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-5-oxo-pentanoate CAS Name: (2R)-5-amino-2-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-5-oxopentanoate IUPAC Name: (2R)-5-amino-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-5-oxopentanoate Traditional Name: (2R)-5-amino-2-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-5-keto-valerate Formula: C14H18N4O3S MolecularWeight: 322.38272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C)[NH2+]C(CCC(=O)N)C(=O)[O-]

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C)[NH2+][C@H](CCC(=O)N)C(=O)[O-]

InChI

InChI=1S/C14H18N4O3S/c1-3-8-6-9-12(16-7(2)17-13(9)22-8)18-10(14(20)21)4-5-11(15)19/h6,10H,3-5H2,1-2H3,(H2,15,19)(H,20,21)(H,16,17,18)/t10-/m1/s1