tert-butyl 4-[2-[2,4-bis(azanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]ethyl]benzoate

Systemtic Name: tert-butyl 4-[2-[2,4-bis(azanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]ethyl]benzoate Openeye Name: tert-butyl 4-[2-(2,4-diamino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)ethyl]benzoate CAS Name: 4-[2-(2,4-diamino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)ethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2,4-diamino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)ethyl]benzoate Traditional Name: 4-[2-(2,4-diamino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)ethyl]benzoic acid tert-butyl ester Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCC2CCC3=C2C(=NC(=N3)N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCC2CCC3=C2C(=NC(=N3)N)N

InChI

InChI=1S/C20H26N4O2/c1-20(2,3)26-18(25)14-8-5-12(6-9-14)4-7-13-10-11-15-16(13)17(21)24-19(22)23-15/h5-6,8-9,13H,4,7,10-11H2,1-3H3,(H4,21,22,23,24)