(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-phenylpropyl)azanium

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-phenylpropyl)azanium Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-phenylpropyl)ammonium CAS Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-phenylpropyl)ammonium IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-phenylpropyl)azanium Traditional Name: (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(3-phenylpropyl)ammonium Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+]CCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH2+]CCCC3=CC=CC=C3)C

InChI

InChI=1S/C18H21N3OS/c1-12-13(2)23-18-16(12)17(22)20-15(21-18)11-19-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,19H,6,9-11H2,1-2H3,(H,20,21,22)/p+1