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

Systemtic Name: 2-methylpropyl 6-[3-(1-adamantylcarbamoylamino)phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 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-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C30H42N4O4 MolecularWeight: 522.67888

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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)OCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H42N4O4/c1-5-9-34-19(4)25(27(35)38-17-18(2)3)26(32-29(34)37)23-7-6-8-24(13-23)31-28(36)33-30-14-20-10-21(15-30)12-22(11-20)16-30/h6-8,13,18,20-22,26H,5,9-12,14-17H2,1-4H3,(H,32,37)(H2,31,33,36)