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

Systemtic Name: 2-azanyl-5-[[(phenylmethyl)amino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-[(benzylamino)methyl]pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5-[[(phenylmethyl)amino]methyl]-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 2-amino-5-[(benzylamino)methyl]pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-[(benzylamino)methyl]pyrrolo[2,3-d]pyrimidin-4-one Formula: C14H13N5O MolecularWeight: 267.28592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2=C3C(=NC(=NC3=O)N)N=C2

Isomeric SMILES

C1=CC=C(C=C1)CNCC2=C3C(=NC(=NC3=O)N)N=C2

InChI

InChI=1S/C14H13N5O/c15-14-18-12-11(13(20)19-14)10(8-17-12)7-16-6-9-4-2-1-3-5-9/h1-5,8,16H,6-7H2,(H2,15,19,20)