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

Systemtic Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-4-methyl-pentanoate Openeye Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)ammonio]-4-methyl-pentanoate CAS Name: (2R)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-4-methylpentanoate IUPAC Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-4-methylpentanoate Traditional Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)ammonio]-4-methyl-valerate Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S/c1-7(2)5-10(14(18)19)17-12-11-8(3)9(4)20-13(11)16-6-15-12/h6-7,10H,5H2,1-4H3,(H,18,19)(H,15,16,17)/t10-/m1/s1