tert-butyl 4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pyrrol-1-yl]benzoate

Systemtic Name: tert-butyl 4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pyrrol-1-yl]benzoate Openeye Name: tert-butyl 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pyrrol-1-yl]benzoate CAS Name: 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-pyrrolyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pyrrol-1-yl]benzoate Traditional Name: 4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)pyrrol-1-yl]benzoic acid tert-butyl ester Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2C=CC(=C2)C3=C(NC(=NC3=O)N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2C=CC(=C2)C3=C(NC(=NC3=O)N)N

InChI

InChI=1S/C19H21N5O3/c1-19(2,3)27-17(26)11-4-6-13(7-5-11)24-9-8-12(10-24)14-15(20)22-18(21)23-16(14)25/h4-10H,1-3H3,(H5,20,21,22,23,25)