(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-oxidanylpropyl)azanium

Systemtic Name: (4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-oxidanylpropyl)azanium Openeye Name: 3-hydroxypropyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: 3-hydroxypropyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: 3-hydroxypropyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: 3-hydroxypropyl-[(4-keto-6-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=CC3=C(S2)N=C(NC3=O)C[NH2+]CCCO

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(NC3=O)C[NH2+]CCCO

InChI

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