4-[[2-azanyl-5-(4-chloranyl-2-methyl-phenoxy)pyrimidin-4-yl]amino]cyclohexan-1-one

Systemtic Name: 4-[[2-azanyl-5-(4-chloranyl-2-methyl-phenoxy)pyrimidin-4-yl]amino]cyclohexan-1-one Openeye Name: 4-[[2-amino-5-(4-chloro-2-methyl-phenoxy)pyrimidin-4-yl]amino]cyclohexanone CAS Name: 4-[[2-amino-5-(4-chloro-2-methylphenoxy)-4-pyrimidinyl]amino]-1-cyclohexanone IUPAC Name: 4-[[2-amino-5-(4-chloro-2-methylphenoxy)pyrimidin-4-yl]amino]cyclohexan-1-one Traditional Name: 4-[[2-amino-5-(4-chloro-2-methyl-phenoxy)pyrimidin-4-yl]amino]cyclohexanone Formula: C17H19ClN4O2 MolecularWeight: 346.81136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC2=CN=C(N=C2NC3CCC(=O)CC3)N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC2=CN=C(N=C2NC3CCC(=O)CC3)N

InChI

InChI=1S/C17H19ClN4O2/c1-10-8-11(18)2-7-14(10)24-15-9-20-17(19)22-16(15)21-12-3-5-13(23)6-4-12/h2,7-9,12H,3-6H2,1H3,(H3,19,20,21,22)