N-(2-aminophenyl)-2-[4-[(E)-1-oxidanyl-4-phenyl-but-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide

Systemtic Name: N-(2-aminophenyl)-2-[4-[(E)-1-oxidanyl-4-phenyl-but-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide Openeye Name: N-(2-aminophenyl)-2-[4-[(E)-1-(hydroxymethyl)-3-phenyl-allyl]piperazin-1-yl]pyrimidine-5-carboxamide CAS Name: N-(2-aminophenyl)-2-[4-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-1-piperazinyl]-5-pyrimidinecarboxamide IUPAC Name: N-(2-aminophenyl)-2-[4-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide Traditional Name: N-(2-aminophenyl)-2-[4-[(E)-1-methylol-3-phenyl-allyl]piperazino]pyrimidine-5-carboxamide Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)C(=O)NC3=CC=CC=C3N)C(CO)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)C(=O)NC3=CC=CC=C3N)C(CO)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H28N6O2/c26-22-8-4-5-9-23(22)29-24(33)20-16-27-25(28-17-20)31-14-12-30(13-15-31)21(18-32)11-10-19-6-2-1-3-7-19/h1-11,16-17,21,32H,12-15,18,26H2,(H,29,33)/b11-10+