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

Systemtic Name: (4-azanyl-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: (4-amino-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: (4-amino-5-ethoxycarbonyl-6-methyl-2-furo[2,3-d]pyrimidinyl)methyl-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: (4-amino-5-ethoxycarbonyl-6-methylfuro[2,3-d]pyrimidin-2-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: (4-amino-5-carbethoxy-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)C[NH+](C)CC3=CC=C(C=C3)SC)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)C[NH+](C)CC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C20H24N4O3S/c1-5-26-20(25)16-12(2)27-19-17(16)18(21)22-15(23-19)11-24(3)10-13-6-8-14(28-4)9-7-13/h6-9H,5,10-11H2,1-4H3,(H2,21,22,23)/p+1