(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4)C=C1

InChI

InChI=1S/C24H30N4O4/c1-15-2-3-20-26-19(9-21(29)28(20)13-15)14-32-22(30)4-5-25-23(31)27-24-10-16-6-17(11-24)8-18(7-16)12-24/h2-3,9,13,16-18H,4-8,10-12,14H2,1H3,(H2,25,27,31)