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

Systemtic Name: (4-azanyl-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-azanium Openeye Name: (4-amino-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-ammonium CAS Name: (4-amino-5-ethoxycarbonyl-6-methyl-2-furo[2,3-d]pyrimidinyl)methyl-[(2-methoxy-5-methylphenyl)methyl]-methylammonium IUPAC Name: (4-amino-5-ethoxycarbonyl-6-methylfuro[2,3-d]pyrimidin-2-yl)methyl-[(2-methoxy-5-methylphenyl)methyl]-methylazanium Traditional Name: (4-amino-5-carbethoxy-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-6-28-21(26)17-13(3)29-20-18(17)19(22)23-16(24-20)11-25(4)10-14-9-12(2)7-8-15(14)27-5/h7-9H,6,10-11H2,1-5H3,(H2,22,23,24)/p+1