N2-(3-fluoranyl-4-methoxy-phenyl)-N6-pyrrolidin-3-yl-N4-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N2-(3-fluoranyl-4-methoxy-phenyl)-N6-pyrrolidin-3-yl-N4-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-(3-fluoro-4-methoxy-phenyl)-N6-pyrrolidin-3-yl-N4-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-(3-fluoro-4-methoxyphenyl)-N6-(3-pyrrolidinyl)-N4-[1-(2-pyrrolidinyl)propyl]-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-(3-fluoro-4-methoxyphenyl)-6-N-pyrrolidin-3-yl-4-N-(1-pyrrolidin-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(3-fluoro-4-methoxy-anilino)-6-(pyrrolidin-3-ylamino)-s-triazin-2-yl]-(1-pyrrolidin-2-ylpropyl)amine Formula: C21H31FN8O MolecularWeight: 430.522243

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCN1)NC2=NC(=NC(=N2)NC3CCNC3)NC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CCC(C1CCCN1)NC2=NC(=NC(=N2)NC3CCNC3)NC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C21H31FN8O/c1-3-16(17-5-4-9-24-17)27-21-29-19(25-13-6-7-18(31-2)15(22)11-13)28-20(30-21)26-14-8-10-23-12-14/h6-7,11,14,16-17,23-24H,3-5,8-10,12H2,1-2H3,(H3,25,26,27,28,29,30)