N4-isoquinolin-1-yl-5-methyl-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-isoquinolin-1-yl-5-methyl-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-(1-isoquinolyl)-5-methyl-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine CAS Name: N4-(1-isoquinolinyl)-5-methyl-N2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine Traditional Name: 1-isoquinolyl-[5-methyl-2-[4-(2-pyrrolidinoethoxy)anilino]pyrimidin-4-yl]amine Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=NC=CC3=CC=CC=C32)NC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1=CN=C(N=C1NC2=NC=CC3=CC=CC=C32)NC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C26H28N6O/c1-19-18-28-26(31-24(19)30-25-23-7-3-2-6-20(23)12-13-27-25)29-21-8-10-22(11-9-21)33-17-16-32-14-4-5-15-32/h2-3,6-13,18H,4-5,14-17H2,1H3,(H2,27,28,29,30,31)