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

Systemtic Name: [4-[2-azanyl-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3-oxidanylpiperidin-1-yl)methanone Openeye Name: [4-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3-hydroxy-1-piperidyl)methanone CAS Name: [4-[2-amino-5-(3,4-dimethoxyphenyl)-4-pyrimidinyl]-1H-pyrrol-2-yl]-(3-hydroxy-1-piperidinyl)methanone IUPAC Name: [4-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3-hydroxypiperidin-1-yl)methanone Traditional Name: [4-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3-hydroxypiperidino)methanone Formula: C22H25N5O4 MolecularWeight: 423.465

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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)N4CCCC(C4)O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)N4CCCC(C4)O)N)OC

InChI

InChI=1S/C22H25N5O4/c1-30-18-6-5-13(9-19(18)31-2)16-11-25-22(23)26-20(16)14-8-17(24-10-14)21(29)27-7-3-4-15(28)12-27/h5-6,8-11,15,24,28H,3-4,7,12H2,1-2H3,(H2,23,25,26)