2-[[4-oxidanylidene-9-(4-phenylpiperazin-1-yl)carbonyl-pyrido[1,2-a]pyrimidin-3-yl]amino]ethanoic acid

Systemtic Name: 2-[[4-oxidanylidene-9-(4-phenylpiperazin-1-yl)carbonyl-pyrido[1,2-a]pyrimidin-3-yl]amino]ethanoic acid Openeye Name: 2-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid CAS Name: 2-[[4-oxo-9-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-pyrido[1,2-a]pyrimidinyl]amino]acetic acid IUPAC Name: 2-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid Traditional Name: 2-[[4-keto-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CN4C3=NC=C(C4=O)NCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CN4C3=NC=C(C4=O)NCC(=O)O

InChI

InChI=1S/C21H21N5O4/c27-18(28)14-22-17-13-23-19-16(7-4-8-26(19)21(17)30)20(29)25-11-9-24(10-12-25)15-5-2-1-3-6-15/h1-8,13,22H,9-12,14H2,(H,27,28)