6-azanyl-1-(2-methoxyethyl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-(2-methoxyethyl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-(2-methoxyethyl)-5-[2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-(2-methoxyethyl)-5-[1-oxo-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]ethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-(2-methoxyethyl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-(2-methoxyethyl)-5-[2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-quinone Formula: C19H27N6O4+ MolecularWeight: 403.45548

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)N

Isomeric SMILES

COCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)N

InChI

InChI=1S/C19H26N6O4/c1-29-11-10-25-17(20)16(18(27)22-19(25)28)15(26)13-24-8-6-23(7-9-24)12-14-4-2-3-5-21-14/h2-5H,6-13,20H2,1H3,(H,22,27,28)/p+1