2-[4-[4-(cycloheptylamino)-6-[(3-fluoranyl-4-methoxy-phenyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-pyrrolidin-1-yl-ethanal

Systemtic Name: 2-[4-[4-(cycloheptylamino)-6-[(3-fluoranyl-4-methoxy-phenyl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]-2-pyrrolidin-1-yl-ethanal Openeye Name: 2-[4-[4-(cycloheptylamino)-6-(3-fluoro-4-methoxy-anilino)-1,3,5-triazin-2-yl]piperazin-1-yl]-2-pyrrolidin-1-yl-acetaldehyde CAS Name: 2-[4-[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]-1-piperazinyl]-2-(1-pyrrolidinyl)acetaldehyde IUPAC Name: 2-[4-[4-(cycloheptylamino)-6-(3-fluoro-4-methoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]-2-pyrrolidin-1-ylacetaldehyde Traditional Name: 2-[4-[4-(cycloheptylamino)-6-(3-fluoro-4-methoxy-anilino)-s-triazin-2-yl]piperazino]-2-pyrrolidino-acetaldehyde Formula: C27H39FN8O2 MolecularWeight: 526.649363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCN(CC3)C(C=O)N4CCCC4)NC5CCCCCC5)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3CCN(CC3)C(C=O)N4CCCC4)NC5CCCCCC5)F

InChI

InChI=1S/C27H39FN8O2/c1-38-23-11-10-21(18-22(23)28)30-26-31-25(29-20-8-4-2-3-5-9-20)32-27(33-26)36-16-14-35(15-17-36)24(19-37)34-12-6-7-13-34/h10-11,18-20,24H,2-9,12-17H2,1H3,(H2,29,30,31,32,33)