4-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylic acid

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylic acid Openeye Name: 4-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylic acid CAS Name: 4-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylic acid IUPAC Name: 4-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylic acid Traditional Name: 4-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]pyrimidine-2-carboxylic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(N=C3N2C=CN=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(N=C3N2C=CN=C3)C(=O)O)OC

InChI

InChI=1S/C16H17N3O4/c1-22-13-4-3-10(7-14(13)23-2)12-8-11(16(20)21)18-15-9-17-5-6-19(12)15/h3-7,9,11-12H,8H2,1-2H3,(H,20,21)