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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)N4CCC(CC4)O)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)N4CCC(CC4)O)N

InChI

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