ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]pyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzoxazol-2-ylamino)-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]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=CN=C(N=C1C[NH+]2CC[NH+](CC2)C)NC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C[NH+]2CC[NH+](CC2)C)NC3=NC4=CC=CC=C4O3

InChI

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