2-[2-azanylethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[2-azanylethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-(phenylmethyl)ethanamide Openeye Name: 2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-benzyl-acetamide CAS Name: 2-[2-aminoethyl-[6-[(5-cyano-2-pyrazinyl)amino]-4-pyrimidinyl]amino]-N-(phenylmethyl)acetamide IUPAC Name: 2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-benzylacetamide Traditional Name: 2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-benzyl-acetamide Formula: C20H21N9O MolecularWeight: 403.44044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CN(CCN)C2=NC=NC(=C2)NC3=NC=C(N=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CN(CCN)C2=NC=NC(=C2)NC3=NC=C(N=C3)C#N

InChI

InChI=1S/C20H21N9O/c21-6-7-29(13-20(30)25-10-15-4-2-1-3-5-15)19-8-17(26-14-27-19)28-18-12-23-16(9-22)11-24-18/h1-5,8,11-12,14H,6-7,10,13,21H2,(H,25,30)(H,24,26,27,28)