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

Systemtic Name: (2R)-5-azanyl-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-5-oxidanylidene-pentanoate Openeye Name: (2R)-5-amino-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)ammonio]-5-oxo-pentanoate CAS Name: (2R)-5-amino-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-5-oxopentanoate IUPAC Name: (2R)-5-amino-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-5-oxopentanoate Traditional Name: (2R)-5-amino-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)ammonio]-5-keto-valerate Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)[NH2+]C(CCC(=O)N)C(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)[NH2+][C@H](CCC(=O)N)C(=O)[O-])C

InChI

InChI=1S/C13H16N4O3S/c1-6-7(2)21-12-10(6)11(15-5-16-12)17-8(13(19)20)3-4-9(14)18/h5,8H,3-4H2,1-2H3,(H2,14,18)(H,19,20)(H,15,16,17)/t8-/m1/s1