4-[[4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide IUPAC Name: 4-[[4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-(propylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide Formula: C16H18N6O MolecularWeight: 310.35372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC2=C1C=CN2)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CCCNC1=NC(=NC2=C1C=CN2)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C16H18N6O/c1-2-8-18-14-12-7-9-19-15(12)22-16(21-14)20-11-5-3-10(4-6-11)13(17)23/h3-7,9H,2,8H2,1H3,(H2,17,23)(H3,18,19,20,21,22)