methyl 5-[[4-(1,3-benzodioxol-4-ylamino)-5-methyl-pyrimidin-2-yl]amino]-2-(2-pyrrolidin-1-ylethoxy)benzoate

Systemtic Name: methyl 5-[[4-(1,3-benzodioxol-4-ylamino)-5-methyl-pyrimidin-2-yl]amino]-2-(2-pyrrolidin-1-ylethoxy)benzoate Openeye Name: methyl 5-[[4-(1,3-benzodioxol-4-ylamino)-5-methyl-pyrimidin-2-yl]amino]-2-(2-pyrrolidin-1-ylethoxy)benzoate CAS Name: 5-[[4-(1,3-benzodioxol-4-ylamino)-5-methyl-2-pyrimidinyl]amino]-2-[2-(1-pyrrolidinyl)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 5-[[4-(1,3-benzodioxol-4-ylamino)-5-methylpyrimidin-2-yl]amino]-2-(2-pyrrolidin-1-ylethoxy)benzoate Traditional Name: 5-[[4-(1,3-benzodioxol-4-ylamino)-5-methyl-pyrimidin-2-yl]amino]-2-(2-pyrrolidinoethoxy)benzoic acid methyl ester Formula: C26H29N5O5 MolecularWeight: 491.53896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=C3C(=CC=C2)OCO3)NC4=CC(=C(C=C4)OCCN5CCCC5)C(=O)OC

Isomeric SMILES

CC1=CN=C(N=C1NC2=C3C(=CC=C2)OCO3)NC4=CC(=C(C=C4)OCCN5CCCC5)C(=O)OC

InChI

InChI=1S/C26H29N5O5/c1-17-15-27-26(30-24(17)29-20-6-5-7-22-23(20)36-16-35-22)28-18-8-9-21(19(14-18)25(32)33-2)34-13-12-31-10-3-4-11-31/h5-9,14-15H,3-4,10-13,16H2,1-2H3,(H2,27,28,29,30)