N-[4-[[(2-azanyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(2-azanyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(2-amino-4-oxo-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl]acetamide CAS Name: N-[4-[[(2-amino-4-oxo-5-pyrrolo[2,3-d]pyrimidinyl)methylamino]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(2-amino-4-oxopyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl]acetamide Traditional Name: N-[4-[[(2-amino-4-keto-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl]acetamide Formula: C16H16N6O2 MolecularWeight: 324.33724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNCC2=C3C(=NC(=NC3=O)N)N=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNCC2=C3C(=NC(=NC3=O)N)N=C2

InChI

InChI=1S/C16H16N6O2/c1-9(23)20-12-4-2-10(3-5-12)6-18-7-11-8-19-14-13(11)15(24)22-16(17)21-14/h2-5,8,18H,6-7H2,1H3,(H,20,23)(H2,17,22,24)