N-[3-[6-[(phenylmethyl)amino]pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide

Systemtic Name: N-[3-[6-[(phenylmethyl)amino]pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide Openeye Name: N-[3-[6-(benzylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide CAS Name: N-[3-[6-[(phenylmethyl)amino]-4-pyrimidinyl]-5-benzimidazolyl]-2-propenamide IUPAC Name: N-[3-[6-(benzylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide Traditional Name: N-[3-[6-(benzylamino)pyrimidin-4-yl]benzimidazol-5-yl]acrylamide Formula: C21H18N6O MolecularWeight: 370.40722

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=CC2=C(C=C1)N=CN2C3=CC(=NC=N3)NCC4=CC=CC=C4

Isomeric SMILES

C=CC(=O)NC1=CC2=C(C=C1)N=CN2C3=CC(=NC=N3)NCC4=CC=CC=C4

InChI

InChI=1S/C21H18N6O/c1-2-21(28)26-16-8-9-17-18(10-16)27(14-25-17)20-11-19(23-13-24-20)22-12-15-6-4-3-5-7-15/h2-11,13-14H,1,12H2,(H,26,28)(H,22,23,24)