4-(1-phenylpyrazol-4-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-(1-phenylpyrazol-4-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(1-phenylpyrazol-4-yl)-2-[4-(2-thienylmethyl)piperazin-1-yl]pyrimidine CAS Name: 4-(1-phenyl-4-pyrazolyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(1-phenylpyrazol-4-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrimidine Traditional Name: 4-(1-phenylpyrazol-4-yl)-2-[4-(2-thenyl)piperazino]pyrimidine Formula: C22H22N6S MolecularWeight: 402.51528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C3=NC=CC(=N3)C4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C3=NC=CC(=N3)C4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H22N6S/c1-2-5-19(6-3-1)28-16-18(15-24-28)21-8-9-23-22(25-21)27-12-10-26(11-13-27)17-20-7-4-14-29-20/h1-9,14-16H,10-13,17H2