[4-[2-azanyl-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-[2-azanyl-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [4-[2-amino-5-(3,4-dimethoxyphenyl)-4-pyrimidinyl]-1H-pyrrol-2-yl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [4-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-[4-(2-pyridyl)piperazino]methanone Formula: C26H27N7O3 MolecularWeight: 485.53768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5)N)OC

InChI

InChI=1S/C26H27N7O3/c1-35-21-7-6-17(14-22(21)36-2)19-16-30-26(27)31-24(19)18-13-20(29-15-18)25(34)33-11-9-32(10-12-33)23-5-3-4-8-28-23/h3-8,13-16,29H,9-12H2,1-2H3,(H2,27,30,31)