[4-azanyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(5-chloranyl-2-methoxy-phenyl)methanone

Systemtic Name: [4-azanyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(5-chloranyl-2-methoxy-phenyl)methanone Openeye Name: [4-amino-2-[(1-methylsulfonyl-4-piperidyl)amino]pyrimidin-5-yl]-(5-chloro-2-methoxy-phenyl)methanone CAS Name: [4-amino-2-[(1-methylsulfonyl-4-piperidinyl)amino]-5-pyrimidinyl]-(5-chloro-2-methoxyphenyl)methanone IUPAC Name: [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(5-chloro-2-methoxyphenyl)methanone Traditional Name: [4-amino-2-[(1-mesyl-4-piperidyl)amino]pyrimidin-5-yl]-(5-chloro-2-methoxy-phenyl)methanone Formula: C18H22ClN5O4S MolecularWeight: 439.91638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H22ClN5O4S/c1-28-15-4-3-11(19)9-13(15)16(25)14-10-21-18(23-17(14)20)22-12-5-7-24(8-6-12)29(2,26)27/h3-4,9-10,12H,5-8H2,1-2H3,(H3,20,21,22,23)