2-[4-(3-methoxyphenyl)-1-pyrazin-2-yl-piperidin-4-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-(3-methoxyphenyl)-1-pyrazin-2-yl-piperidin-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(3-methoxyphenyl)-1-pyrazin-2-yl-4-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-methoxyphenyl)-1-(2-pyrazinyl)-4-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-methoxyphenyl)-1-pyrazin-2-ylpiperidin-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(3-methoxyphenyl)-1-pyrazin-2-yl-4-piperidyl]pyrimidine-5-carboxylic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CN=C3)C4=NC=C(C=N4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CN=C3)C4=NC=C(C=N4)C(=O)O

InChI

InChI=1S/C21H21N5O3/c1-29-17-4-2-3-16(11-17)21(20-24-12-15(13-25-20)19(27)28)5-9-26(10-6-21)18-14-22-7-8-23-18/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,27,28)