4-(2-azanyl-5-phenyl-pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-(2-azanyl-5-phenyl-pyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-(2-amino-5-phenyl-pyrimidin-4-yl)-N-[2-(3-pyridyl)ethyl]-1H-pyrrole-2-carboxamide CAS Name: 4-(2-amino-5-phenyl-4-pyrimidinyl)-N-[2-(3-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(2-amino-5-phenylpyrimidin-4-yl)-N-(2-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-(2-amino-5-phenyl-pyrimidin-4-yl)-N-[2-(3-pyridyl)ethyl]-1H-pyrrole-2-carboxamide Formula: C22H20N6O MolecularWeight: 384.4338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)NCCC4=CN=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)NCCC4=CN=CC=C4)N

InChI

InChI=1S/C22H20N6O/c23-22-27-14-18(16-6-2-1-3-7-16)20(28-22)17-11-19(26-13-17)21(29)25-10-8-15-5-4-9-24-12-15/h1-7,9,11-14,26H,8,10H2,(H,25,29)(H2,23,27,28)