(E)-N-(2-aminophenyl)-3-[2-[(4-aminophenyl)methylamino]pyrimidin-5-yl]prop-2-enamide

Systemtic Name: (E)-N-(2-aminophenyl)-3-[2-[(4-aminophenyl)methylamino]pyrimidin-5-yl]prop-2-enamide Openeye Name: (E)-N-(2-aminophenyl)-3-[2-[(4-aminophenyl)methylamino]pyrimidin-5-yl]prop-2-enamide CAS Name: (E)-N-(2-aminophenyl)-3-[2-[(4-aminophenyl)methylamino]-5-pyrimidinyl]-2-propenamide IUPAC Name: (E)-N-(2-aminophenyl)-3-[2-[(4-aminophenyl)methylamino]pyrimidin-5-yl]prop-2-enamide Traditional Name: (E)-3-[2-[(4-aminobenzyl)amino]pyrimidin-5-yl]-N-(2-aminophenyl)acrylamide Formula: C20H20N6O MolecularWeight: 360.4124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C=CC2=CN=C(N=C2)NCC3=CC=C(C=C3)N

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)/C=C/C2=CN=C(N=C2)NCC3=CC=C(C=C3)N

InChI

InChI=1S/C20H20N6O/c21-16-8-5-14(6-9-16)11-23-20-24-12-15(13-25-20)7-10-19(27)26-18-4-2-1-3-17(18)22/h1-10,12-13H,11,21-22H2,(H,26,27)(H,23,24,25)/b10-7+