5-[[4-(cycloheptylamino)-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methoxy-benzoate

Systemtic Name: 5-[[4-(cycloheptylamino)-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methoxy-benzoate Openeye Name: 5-[[4-(cycloheptylamino)-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methoxy-benzoate CAS Name: 5-[[4-(cycloheptylamino)-6-[1-(2-pyrrolidinyl)propylamino]-1,3,5-triazin-2-yl]amino]-2-methoxybenzoate IUPAC Name: 5-[[4-(cycloheptylamino)-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methoxybenzoate Traditional Name: 5-[[4-(cycloheptylamino)-6-(1-pyrrolidin-2-ylpropylamino)-s-triazin-2-yl]amino]-2-methoxy-benzoate Formula: C25H36N7O3- MolecularWeight: 482.59844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCN1)NC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)C(=O)[O-]

Isomeric SMILES

CCC(C1CCCN1)NC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)C(=O)[O-]

InChI

InChI=1S/C25H37N7O3/c1-3-19(20-11-8-14-26-20)29-25-31-23(27-16-9-6-4-5-7-10-16)30-24(32-25)28-17-12-13-21(35-2)18(15-17)22(33)34/h12-13,15-16,19-20,26H,3-11,14H2,1-2H3,(H,33,34)(H3,27,28,29,30,31,32)/p-1