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

Systemtic Name: [4-[2-azanyl-5-(3-methylphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone Openeye Name: [4-[2-amino-5-(m-tolyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-[4-(1-piperidyl)-1-piperidyl]methanone CAS Name: [4-[2-amino-5-(3-methylphenyl)-4-pyrimidinyl]-1H-pyrrol-2-yl]-[4-(1-piperidinyl)-1-piperidinyl]methanone IUPAC Name: [4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone Traditional Name: [4-[2-amino-5-(m-tolyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-piperidinopiperidino)methanone Formula: C26H32N6O MolecularWeight: 444.57188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)N4CCC(CC4)N5CCCCC5)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)N4CCC(CC4)N5CCCCC5)N

InChI

InChI=1S/C26H32N6O/c1-18-6-5-7-19(14-18)22-17-29-26(27)30-24(22)20-15-23(28-16-20)25(33)32-12-8-21(9-13-32)31-10-3-2-4-11-31/h5-7,14-17,21,28H,2-4,8-13H2,1H3,(H2,27,29,30)