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

Systemtic Name: (3-cyclopropyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)methyl-(5-oxidanylpentyl)azanium Openeye Name: (3-cyclopropyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)methyl-(5-hydroxypentyl)ammonium CAS Name: (3-cyclopropyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)methyl-(5-hydroxypentyl)ammonium IUPAC Name: (3-cyclopropyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)methyl-(5-hydroxypentyl)azanium Traditional Name: (3-cyclopropyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl-(5-hydroxypentyl)ammonium Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C[NH2+]CCCCCO)C3CC3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C[NH2+]CCCCCO)C3CC3)C

InChI

InChI=1S/C17H25N3O2S/c1-11-12(2)23-16-15(11)17(22)20(13-6-7-13)14(19-16)10-18-8-4-3-5-9-21/h13,18,21H,3-10H2,1-2H3/p+1