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

Systemtic Name: [2-[[(2-azanyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl] 2-methylpropanoate Openeye Name: [2-[[(2-amino-4-oxo-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-[[(2-amino-4-oxo-5-pyrrolo[2,3-d]pyrimidinyl)methylamino]methyl]phenyl] ester IUPAC Name: [2-[[(2-amino-4-oxopyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-[[(2-amino-4-keto-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]methyl]phenyl] ester Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=CC=CC=C1CNCC2=C3C(=NC(=NC3=O)N)N=C2

Isomeric SMILES

CC(C)C(=O)OC1=CC=CC=C1CNCC2=C3C(=NC(=NC3=O)N)N=C2

InChI

InChI=1S/C18H19N5O3/c1-10(2)17(25)26-13-6-4-3-5-11(13)7-20-8-12-9-21-15-14(12)16(24)23-18(19)22-15/h3-6,9-10,20H,7-8H2,1-2H3,(H2,19,23,24)