ethyl 4-azanyl-6-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-6-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-6-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-6-methyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-6-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H26N6O3+2 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C20H24N6O3/c1-3-28-20(27)16-13(2)29-19-17(16)18(21)23-14(24-19)12-25-8-10-26(11-9-25)15-6-4-5-7-22-15/h4-7H,3,8-12H2,1-2H3,(H2,21,23,24)/p+2