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

Systemtic Name: 2-azanyl-5-[[bis(phenylmethyl)amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-[(dibenzylamino)methyl]pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5-[[bis(phenylmethyl)amino]methyl]-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 2-amino-5-[(dibenzylamino)methyl]pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-[(dibenzylamino)methyl]pyrrolo[2,3-d]pyrimidin-4-one Formula: C21H19N5O MolecularWeight: 357.40846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=C4C(=NC(=NC4=O)N)N=C3

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=C4C(=NC(=NC4=O)N)N=C3

InChI

InChI=1S/C21H19N5O/c22-21-24-19-18(20(27)25-21)17(11-23-19)14-26(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-11H,12-14H2,(H2,22,25,27)