(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-oxidanylpropyl)azanium

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-oxidanylpropyl)azanium Openeye Name: 3-hydroxypropyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: 3-hydroxypropyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: 3-hydroxypropyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: 3-hydroxypropyl-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium Formula: C16H18N3O2S+ MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)C[NH2+]CCCO

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)C[NH2+]CCCO

InChI

InChI=1S/C16H17N3O2S/c20-8-4-7-17-9-13-18-15(21)14-12(10-22-16(14)19-13)11-5-2-1-3-6-11/h1-3,5-6,10,17,20H,4,7-9H2,(H,18,19,21)/p+1