(2S)-2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)propanamide

Systemtic Name: (2S)-2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)propanamide Openeye Name: (2S)-2-(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-isopropyl-1H-pyrazol-2-ium-3-yl)propanamide CAS Name: (2S)-2-[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)propanamide IUPAC Name: (2S)-2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)propanamide Traditional Name: (2S)-2-[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-isopropyl-1H-pyrazol-2-ium-3-yl)propionamide Formula: C21H23N6O2S2+ MolecularWeight: 455.57632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=C(C=CN1)NC(=O)C(C)SC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

Isomeric SMILES

C[C@@H](C(=O)NC1=[N+](NC=C1)C(C)C)SC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

InChI

InChI=1S/C21H22N6O2S2/c1-12(2)27-16(9-10-23-27)24-18(28)13(3)31-21-25-19-17(20(29)26(21)22)15(11-30-19)14-7-5-4-6-8-14/h4-13H,22H2,1-3H3,(H,23,24,28)/p+1/t13-/m0/s1