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

Systemtic Name: N-(cyclopropylmethyl)-4-[5-(4-methoxyphenyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine Openeye Name: N-(cyclopropylmethyl)-4-[5-(4-methoxyphenyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine CAS Name: N-(cyclopropylmethyl)-4-[5-(4-methoxyphenyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]-2-pyrimidinamine IUPAC Name: N-(cyclopropylmethyl)-4-[5-(4-methoxyphenyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-amine Traditional Name: cyclopropylmethyl-[4-[5-(4-methoxyphenyl)-1H-pyrrolo[3,2-b]pyridin-6-yl]pyrimidin-2-yl]amine Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C2C4=NC(=NC=C4)NCC5CC5)NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C2C4=NC(=NC=C4)NCC5CC5)NC=C3

InChI

InChI=1S/C22H21N5O/c1-28-16-6-4-15(5-7-16)21-17(12-20-19(26-21)9-10-23-20)18-8-11-24-22(27-18)25-13-14-2-3-14/h4-12,14,23H,2-3,13H2,1H3,(H,24,25,27)