[4-[[4-azanyl-5-[(2-methoxy-5-methyl-phenyl)methyl]pyrimidin-2-yl]amino]cyclohexyl]carbamic acid

Systemtic Name: [4-[[4-azanyl-5-[(2-methoxy-5-methyl-phenyl)methyl]pyrimidin-2-yl]amino]cyclohexyl]carbamic acid Openeye Name: [4-[[4-amino-5-[(2-methoxy-5-methyl-phenyl)methyl]pyrimidin-2-yl]amino]cyclohexyl]carbamic acid CAS Name: [4-[[4-amino-5-[(2-methoxy-5-methylphenyl)methyl]-2-pyrimidinyl]amino]cyclohexyl]carbamic acid IUPAC Name: [4-[[4-amino-5-[(2-methoxy-5-methylphenyl)methyl]pyrimidin-2-yl]amino]cyclohexyl]carbamic acid Traditional Name: [4-[[4-amino-5-(2-methoxy-5-methyl-benzyl)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CC2=CN=C(N=C2N)NC3CCC(CC3)NC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CC2=CN=C(N=C2N)NC3CCC(CC3)NC(=O)O

InChI

InChI=1S/C20H27N5O3/c1-12-3-8-17(28-2)13(9-12)10-14-11-22-19(25-18(14)21)23-15-4-6-16(7-5-15)24-20(26)27/h3,8-9,11,15-16,24H,4-7,10H2,1-2H3,(H,26,27)(H3,21,22,23,25)