(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2R)-2-(aminocarbonylamino)-4-methyl-pentanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2R)-2-(aminocarbonylamino)-4-methyl-pentanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (2R)-4-methyl-2-ureido-pentanoate CAS Name: (2R)-2-(carbamoylamino)-4-methylpentanoic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2R)-2-(carbamoylamino)-4-methylpentanoate Traditional Name: (2R)-4-methyl-2-ureido-valeric acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C16H19BrN4O4 MolecularWeight: 411.25046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC(=O)N2C=C(C=CC2=N1)Br)NC(=O)N

Isomeric SMILES

CC(C)C[C@H](C(=O)OCC1=CC(=O)N2C=C(C=CC2=N1)Br)NC(=O)N

InChI

InChI=1S/C16H19BrN4O4/c1-9(2)5-12(20-16(18)24)15(23)25-8-11-6-14(22)21-7-10(17)3-4-13(21)19-11/h3-4,6-7,9,12H,5,8H2,1-2H3,(H3,18,20,24)/t12-/m1/s1