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

Systemtic Name: 2-azanyl-5-[[(4-ethanoylphenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 5-[[(4-acetylphenyl)methylamino]methyl]-2-amino-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 5-[[(4-acetylphenyl)methylamino]methyl]-2-amino-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 5-[[(4-acetylphenyl)methylamino]methyl]-2-aminopyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 5-[[(4-acetylbenzyl)amino]methyl]-2-amino-pyrrolo[2,3-d]pyrimidin-4-one Formula: C16H15N5O2 MolecularWeight: 309.3226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O2/c1-9(22)11-4-2-10(3-5-11)6-18-7-12-8-19-14-13(12)15(23)21-16(17)20-14/h2-5,8,18H,6-7H2,1H3,(H2,17,21,23)