6-(5-chloranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(5-chloranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine CAS Name: 6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine Traditional Name: benzyl-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amine Formula: C18H14ClN5 MolecularWeight: 335.79026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC(=C2)C3=CNC4=NC=C(C=C34)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC(=C2)C3=CNC4=NC=C(C=C34)Cl

InChI

InChI=1S/C18H14ClN5/c19-13-6-14-15(10-22-18(14)21-9-13)16-7-17(24-11-23-16)20-8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H,21,22)(H,20,23,24)