N-(3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine

Systemtic Name: N-(3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine Openeye Name: N-(3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine CAS Name: N-(3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyrimidinamine IUPAC Name: N-(3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine Traditional Name: (3-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]amine Formula: C18H15N5O MolecularWeight: 317.3446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=CC(=N2)C3=C4C=CNC4=NC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=CC(=N2)C3=C4C=CNC4=NC=C3

InChI

InChI=1S/C18H15N5O/c1-24-13-4-2-3-12(11-13)22-18-21-10-7-16(23-18)14-5-8-19-17-15(14)6-9-20-17/h2-11H,1H3,(H,19,20)(H,21,22,23)