N-[4-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]-2-phenyl-ethanamide

Systemtic Name: N-[4-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]-2-phenyl-ethanamide Openeye Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-2-[4-(hydroxymethyl)-1-piperidyl]-2-phenyl-acetamide CAS Name: N-[4-[2-(3-aminoanilino)-4-pyrimidinyl]phenyl]-2-[4-(hydroxymethyl)-1-piperidinyl]-2-phenylacetamide IUPAC Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylacetamide Traditional Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-2-(4-methylolpiperidino)-2-phenyl-acetamide Formula: C30H32N6O2 MolecularWeight: 508.61408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC(=NC=C4)NC5=CC=CC(=C5)N

Isomeric SMILES

C1CN(CCC1CO)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC(=NC=C4)NC5=CC=CC(=C5)N

InChI

InChI=1S/C30H32N6O2/c31-24-7-4-8-26(19-24)34-30-32-16-13-27(35-30)22-9-11-25(12-10-22)33-29(38)28(23-5-2-1-3-6-23)36-17-14-21(20-37)15-18-36/h1-13,16,19,21,28,37H,14-15,17-18,20,31H2,(H,33,38)(H,32,34,35)