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

Systemtic Name: (3-cyclopropyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)methyl-(furan-2-ylmethyl)azanium Openeye Name: (3-cyclopropyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)methyl-(2-furylmethyl)ammonium CAS Name: (3-cyclopropyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)methyl-(2-furanylmethyl)ammonium IUPAC Name: (3-cyclopropyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)methyl-(furan-2-ylmethyl)azanium Traditional Name: (3-cyclopropyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl-(2-furfuryl)ammonium Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C[NH2+]CC3=CC=CO3)C4CC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C[NH2+]CC3=CC=CO3)C4CC4)C

InChI

InChI=1S/C17H19N3O2S/c1-10-11(2)23-16-15(10)17(21)20(12-5-6-12)14(19-16)9-18-8-13-4-3-7-22-13/h3-4,7,12,18H,5-6,8-9H2,1-2H3/p+1