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

Systemtic Name: (2R)-5-azanyl-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-5-oxidanylidene-pentanoate Openeye Name: (2R)-5-amino-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-5-oxo-pentanoate CAS Name: (2R)-5-amino-2-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)ammonio]-5-oxopentanoate IUPAC Name: (2R)-5-amino-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]-5-oxopentanoate Traditional Name: (2R)-5-amino-5-keto-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]valerate Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)[NH2+]C(CCC(=O)N)C(=O)[O-]

Isomeric SMILES

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)[NH2+][C@H](CCC(=O)N)C(=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-10-20-16(22-13(18(24)25)7-8-15(19)23)12-9-14(26-17(12)21-10)11-5-3-2-4-6-11/h2-6,9,13H,7-8H2,1H3,(H2,19,23)(H,24,25)(H,20,21,22)/t13-/m1/s1