chloranylbenzene; 5,7-diphenyl-N-propyl-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: chloranylbenzene; 5,7-diphenyl-N-propyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: chlorobenzene; 5,7-diphenyl-N-propyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: chlorobenzene; 5,7-diphenyl-N-propyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: chlorobenzene; 5,7-diphenyl-N-propylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: chlorobenzene; (5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)-propyl-amine Formula: C27H25ClN4 MolecularWeight: 440.9672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC2=C1C(=CN2C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)Cl

Isomeric SMILES

CCCNC1=NC=NC2=C1C(=CN2C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C21H20N4.C6H5Cl/c1-2-13-22-20-19-18(16-9-5-3-6-10-16)14-25(21(19)24-15-23-20)17-11-7-4-8-12-17;7-6-4-2-1-3-5-6/h3-12,14-15H,2,13H2,1H3,(H,22,23,24);1-5H