(4-azanyl-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-(phenylmethyl)azanium

Systemtic Name: (4-azanyl-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl-methyl-(phenylmethyl)azanium Openeye Name: (4-amino-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl-benzyl-methyl-ammonium CAS Name: (4-amino-6-ethoxycarbonyl-5-methyl-2-thieno[2,3-d]pyrimidinyl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: (4-amino-6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-2-yl)methyl-benzyl-methylazanium Traditional Name: (4-amino-6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl-benzyl-methyl-ammonium Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+](C)CC3=CC=CC=C3)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C[NH+](C)CC3=CC=CC=C3)N)C

InChI

InChI=1S/C19H22N4O2S/c1-4-25-19(24)16-12(2)15-17(20)21-14(22-18(15)26-16)11-23(3)10-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H2,20,21,22)/p+1