(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: (6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: (6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: (6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (6-carbethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C21H22N5O4S+ MolecularWeight: 440.49548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[NH+](C)CC3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[NH+](C)CC3=NC(=O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C21H21N5O4S/c1-4-30-21(29)17-11(2)16-19(28)24-15(25-20(16)31-17)10-26(3)9-14-22-13-8-6-5-7-12(13)18(27)23-14/h5-8H,4,9-10H2,1-3H3,(H,22,23,27)(H,24,25,28)/p+1