ethyl 4-[[5-azanyl-7-(ethoxycarbonylamino)pyrido[3,4-b]pyrazin-6-ium-3-yl]methylamino]benzoate

Systemtic Name: ethyl 4-[[5-azanyl-7-(ethoxycarbonylamino)pyrido[3,4-b]pyrazin-6-ium-3-yl]methylamino]benzoate Openeye Name: ethyl 4-[[5-amino-7-(ethoxycarbonylamino)pyrido[3,4-b]pyrazin-6-ium-3-yl]methylamino]benzoate CAS Name: 4-[[5-amino-7-(ethoxycarbonylamino)-3-pyrido[3,4-b]pyrazin-6-iumyl]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-amino-7-(ethoxycarbonylamino)pyrido[3,4-b]pyrazin-6-ium-3-yl]methylamino]benzoate Traditional Name: 4-[[5-amino-7-(carbethoxyamino)pyrido[3,4-b]pyrazin-6-ium-3-yl]methylamino]benzoic acid ethyl ester Formula: C20H23N6O4+ MolecularWeight: 411.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC2=NC3=C([NH+]=C(C=C3N=C2)NC(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC2=NC3=C([NH+]=C(C=C3N=C2)NC(=O)OCC)N

InChI

InChI=1S/C20H22N6O4/c1-3-29-19(27)12-5-7-13(8-6-12)22-10-14-11-23-15-9-16(26-20(28)30-4-2)25-18(21)17(15)24-14/h5-9,11,22H,3-4,10H2,1-2H3,(H3,21,25,26,28)/p+1