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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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