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

Systemtic Name: (2R)-5-azanyl-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-5-oxidanylidene-pentanoate Openeye Name: (2R)-5-amino-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-5-oxo-pentanoate CAS Name: (2R)-5-amino-2-[(2,6-dimethyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-5-oxopentanoate IUPAC Name: (2R)-5-amino-2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-5-oxopentanoate Traditional Name: (2R)-5-amino-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-5-keto-valerate Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=C(N=C2S1)C)[NH2+]C(CCC(=O)N)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2S1)C)[NH2+][C@H](CCC(=O)N)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S/c1-10-15(12-6-4-3-5-7-12)16-17(21-11(2)22-18(16)27-10)23-13(19(25)26)8-9-14(20)24/h3-7,13H,8-9H2,1-2H3,(H2,20,24)(H,25,26)(H,21,22,23)/t13-/m1/s1