(4-aminocarbonylphenyl)methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-propyl-azanium

Systemtic Name: (4-aminocarbonylphenyl)methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-propyl-azanium Openeye Name: (4-carbamoylphenyl)methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-propyl-ammonium CAS Name: (4-carbamoylphenyl)methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-propylammonium IUPAC Name: (4-carbamoylphenyl)methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-propylazanium Traditional Name: (4-carbamoylbenzyl)-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-propyl-ammonium Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=CC=C(C=C1)C(=O)N)CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CCC[NH+](CC1=CC=C(C=C1)C(=O)N)CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C18H20N4O2S/c1-2-8-22(10-12-3-5-13(6-4-12)17(19)23)11-15-20-14-7-9-25-16(14)18(24)21-15/h3-7,9H,2,8,10-11H2,1H3,(H2,19,23)(H,20,21,24)/p+1