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

Systemtic Name: N4-(1H-indol-4-yl)-5-methyl-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-(1H-indol-4-yl)-5-methyl-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine CAS Name: N4-(1H-indol-4-yl)-5-methyl-N2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine Traditional Name: 1H-indol-4-yl-[5-methyl-2-[4-(2-pyrrolidinoethoxy)anilino]pyrimidin-4-yl]amine Formula: C25H28N6O MolecularWeight: 428.52942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC=CC3=C2C=CN3)NC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC=CC3=C2C=CN3)NC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C25H28N6O/c1-18-17-27-25(30-24(18)29-23-6-4-5-22-21(23)11-12-26-22)28-19-7-9-20(10-8-19)32-16-15-31-13-2-3-14-31/h4-12,17,26H,2-3,13-16H2,1H3,(H2,27,28,29,30)