tert-butyl 2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(phenylmethyl)amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(phenylmethyl)amino]ethanoate Openeye Name: tert-butyl 2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-benzyl-amino]acetate CAS Name: 2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-(phenylmethyl)amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]acetate Traditional Name: 2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-benzyl-amino]acetic acid tert-butyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)CC(=O)OC(C)(C)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)CC(=O)OC(C)(C)C)N

InChI

InChI=1S/C21H30N4O4/c1-5-6-12-25-18(22)17(19(27)23-20(25)28)24(13-15-10-8-7-9-11-15)14-16(26)29-21(2,3)4/h7-11H,5-6,12-14,22H2,1-4H3,(H,23,27,28)