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

Systemtic Name: [4-[2-azanyl-5-(3-methylphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Openeye Name: [4-[2-amino-5-(m-tolyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone CAS Name: [4-[2-amino-5-(3-methylphenyl)-4-pyrimidinyl]-1H-pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone IUPAC Name: [4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Traditional Name: [4-[2-amino-5-(m-tolyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)N4CCCN(CC4)C)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)N4CCCN(CC4)C)N

InChI

InChI=1S/C22H26N6O/c1-15-5-3-6-16(11-15)18-14-25-22(23)26-20(18)17-12-19(24-13-17)21(29)28-8-4-7-27(2)9-10-28/h3,5-6,11-14,24H,4,7-10H2,1-2H3,(H2,23,25,26)