methyl 2-[2-[2-(oxidanylidenemethylidene)-1H-pyrimidin-5-yl]-3-piperazin-1-yl-pyridin-4-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(oxidanylidenemethylidene)-1H-pyrimidin-5-yl]-3-piperazin-1-yl-pyridin-4-yl]ethanoate Openeye Name: methyl 2-[2-[2-(oxomethylene)-1H-pyrimidin-5-yl]-3-piperazin-1-yl-4-pyridyl]acetate CAS Name: 2-[2-[2-(oxomethylidene)-1H-pyrimidin-5-yl]-3-(1-piperazinyl)-4-pyridinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(oxomethylidene)-1H-pyrimidin-5-yl]-3-piperazin-1-ylpyridin-4-yl]acetate Traditional Name: 2-[2-[2-(ketomethylene)-1H-pyrimidin-5-yl]-3-piperazino-4-pyridyl]acetic acid methyl ester Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(=NC=C1)C2=CNC(=C=O)N=C2)N3CCNCC3

Isomeric SMILES

COC(=O)CC1=C(C(=NC=C1)C2=CNC(=C=O)N=C2)N3CCNCC3

InChI

InChI=1S/C17H19N5O3/c1-25-15(24)8-12-2-3-19-16(13-9-20-14(11-23)21-10-13)17(12)22-6-4-18-5-7-22/h2-3,9-10,18,20H,4-8H2,1H3