tert-butyl 2-(2-azanylpyrimidin-4-yl)-1-methyl-4-oxidanylidene-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate

Systemtic Name: tert-butyl 2-(2-azanylpyrimidin-4-yl)-1-methyl-4-oxidanylidene-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate CAS Name: 2-(2-amino-4-pyrimidinyl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-aminopyrimidin-4-yl)-1-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate Traditional Name: 2-(2-aminopyrimidin-4-yl)-4-keto-1-methyl-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1=O)C=C(N2C)C3=NC(=NC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1=O)C=C(N2C)C3=NC(=NC=C3)N

InChI

InChI=1S/C17H21N5O3/c1-17(2,3)25-16(24)22-8-6-12-10(14(22)23)9-13(21(12)4)11-5-7-19-15(18)20-11/h5,7,9H,6,8H2,1-4H3,(H2,18,19,20)