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

Systemtic Name: [4-[2-azanyl-5-(3-methylphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3-oxidanylpiperidin-1-yl)methanone Openeye Name: [4-[2-amino-5-(m-tolyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3-hydroxy-1-piperidyl)methanone CAS Name: [4-[2-amino-5-(3-methylphenyl)-4-pyrimidinyl]-1H-pyrrol-2-yl]-(3-hydroxy-1-piperidinyl)methanone IUPAC Name: [4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3-hydroxypiperidin-1-yl)methanone Traditional Name: [4-[2-amino-5-(m-tolyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(3-hydroxypiperidino)methanone Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)N4CCCC(C4)O)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)N4CCCC(C4)O)N

InChI

InChI=1S/C21H23N5O2/c1-13-4-2-5-14(8-13)17-11-24-21(22)25-19(17)15-9-18(23-10-15)20(28)26-7-3-6-16(27)12-26/h2,4-5,8-11,16,23,27H,3,6-7,12H2,1H3,(H2,22,24,25)