1-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-6-(cycloheptylamino)pyrimidin-4-yl]piperidin-4-ol

Systemtic Name: 1-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-6-(cycloheptylamino)pyrimidin-4-yl]piperidin-4-ol Openeye Name: 1-[2-(3-chloro-4-methoxy-anilino)-6-(cycloheptylamino)pyrimidin-4-yl]piperidin-4-ol CAS Name: 1-[2-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-4-pyrimidinyl]-4-piperidinol IUPAC Name: 1-[2-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)pyrimidin-4-yl]piperidin-4-ol Traditional Name: 1-[2-(3-chloro-4-methoxy-anilino)-6-(cycloheptylamino)pyrimidin-4-yl]piperidin-4-ol Formula: C23H32ClN5O2 MolecularWeight: 445.98548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=CC(=N2)NC3CCCCCC3)N4CCC(CC4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=CC(=N2)NC3CCCCCC3)N4CCC(CC4)O)Cl

InChI

InChI=1S/C23H32ClN5O2/c1-31-20-9-8-17(14-19(20)24)26-23-27-21(25-16-6-4-2-3-5-7-16)15-22(28-23)29-12-10-18(30)11-13-29/h8-9,14-16,18,30H,2-7,10-13H2,1H3,(H2,25,26,27,28)