(2S)-N-[4-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]phenyl]-2-azanyl-3-phenyl-propanamide

Systemtic Name: (2S)-N-[4-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]phenyl]-2-azanyl-3-phenyl-propanamide Openeye Name: (2S)-2-amino-N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-3-phenyl-propanamide CAS Name: (2S)-2-amino-N-[4-[2-(3-aminoanilino)-4-pyrimidinyl]phenyl]-3-phenylpropanamide IUPAC Name: (2S)-2-amino-N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-3-phenylpropanamide Traditional Name: (2S)-2-amino-N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]-3-phenyl-propionamide Formula: C25H24N6O MolecularWeight: 424.49766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)N)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)N)N

InChI

InChI=1S/C25H24N6O/c26-19-7-4-8-21(16-19)30-25-28-14-13-23(31-25)18-9-11-20(12-10-18)29-24(32)22(27)15-17-5-2-1-3-6-17/h1-14,16,22H,15,26-27H2,(H,29,32)(H,28,30,31)/t22-/m0/s1