2-azanyl-5-[[[4-(4-azanylphenoxy)phenyl]amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-5-[[[4-(4-azanylphenoxy)phenyl]amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-[[4-(4-aminophenoxy)anilino]methyl]pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5-[[4-(4-aminophenoxy)anilino]methyl]-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 2-amino-5-[[4-(4-aminophenoxy)anilino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-[[4-(4-aminophenoxy)anilino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Formula: C19H16N6O2 MolecularWeight: 360.36934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)OC2=CC=C(C=C2)NCC3=C4C(=NC(=NC4=O)N)N=C3

Isomeric SMILES

C1=CC(=CC=C1N)OC2=CC=C(C=C2)NCC3=C4C(=NC(=NC4=O)N)N=C3

InChI

InChI=1S/C19H16N6O2/c20-12-1-5-14(6-2-12)27-15-7-3-13(4-8-15)22-9-11-10-23-17-16(11)18(26)25-19(21)24-17/h1-8,10,22H,9,20H2,(H2,21,25,26)