2-methoxyethyl 6-[3-(1-adamantylcarbamoylamino)phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 6-[3-(1-adamantylcarbamoylamino)phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-[3-(1-adamantylcarbamoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(1-adamantylamino)-oxomethyl]amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-[3-(1-adamantylcarbamoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(1-adamantylcarbamoylamino)phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C29H40N4O5 MolecularWeight: 524.6517

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)OCCOC)C

Isomeric SMILES

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)OCCOC)C

InChI

InChI=1S/C29H40N4O5/c1-4-8-33-18(2)24(26(34)38-10-9-37-3)25(31-28(33)36)22-6-5-7-23(14-22)30-27(35)32-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-7,14,19-21,25H,4,8-13,15-17H2,1-3H3,(H,31,36)(H2,30,32,35)