2-[4-[(E)-2-azanyl-4-phenyl-but-3-enyl]piperazin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide

Systemtic Name: 2-[4-[(E)-2-azanyl-4-phenyl-but-3-enyl]piperazin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide Openeye Name: 2-[4-[(E)-2-amino-4-phenyl-but-3-enyl]piperazin-1-yl]-N-tetrahydropyran-2-yloxy-pyrimidine-5-carboxamide CAS Name: 2-[4-[(E)-2-amino-4-phenylbut-3-enyl]-1-piperazinyl]-N-(2-oxanyloxy)-5-pyrimidinecarboxamide IUPAC Name: 2-[4-[(E)-2-amino-4-phenylbut-3-enyl]piperazin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide Traditional Name: 2-[4-[(E)-2-amino-4-phenyl-but-3-enyl]piperazino]-N-tetrahydropyran-2-yloxy-pyrimidine-5-carboxamide Formula: C24H32N6O3 MolecularWeight: 452.54928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)ONC(=O)C2=CN=C(N=C2)N3CCN(CC3)CC(C=CC4=CC=CC=C4)N

Isomeric SMILES

C1CCOC(C1)ONC(=O)C2=CN=C(N=C2)N3CCN(CC3)CC(/C=C/C4=CC=CC=C4)N

InChI

InChI=1S/C24H32N6O3/c25-21(10-9-19-6-2-1-3-7-19)18-29-11-13-30(14-12-29)24-26-16-20(17-27-24)23(31)28-33-22-8-4-5-15-32-22/h1-3,6-7,9-10,16-17,21-22H,4-5,8,11-15,18,25H2,(H,28,31)/b10-9+