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

Systemtic Name: tert-butyl 4-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]piperidin-1-yl]benzoate Openeye Name: tert-butyl 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-piperidyl]benzoate CAS Name: 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-1-piperidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)piperidin-1-yl]benzoate Traditional Name: 4-[4-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)piperidino]benzoic acid tert-butyl ester Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2CCC(CC2)C3=C(NC(=NC3=O)N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2CCC(CC2)C3=C(NC(=NC3=O)N)N

InChI

InChI=1S/C20H27N5O3/c1-20(2,3)28-18(27)13-4-6-14(7-5-13)25-10-8-12(9-11-25)15-16(21)23-19(22)24-17(15)26/h4-7,12H,8-11H2,1-3H3,(H5,21,22,23,24,26)