propan-2-yl 6-[3-(1-adamantylcarbamoylamino)phenyl]-3-butyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 6-[3-(1-adamantylcarbamoylamino)phenyl]-3-butyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 6-[3-(1-adamantylcarbamoylamino)phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(1-adamantylamino)-oxomethyl]amino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[3-(1-adamantylcarbamoylamino)phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(1-adamantylcarbamoylamino)phenyl]-3-butyl-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C30H42N4O4 MolecularWeight: 522.67888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)OC(C)C)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)OC(C)C)C

InChI

InChI=1S/C30H42N4O4/c1-5-6-10-34-19(4)25(27(35)38-18(2)3)26(32-29(34)37)23-8-7-9-24(14-23)31-28(36)33-30-15-20-11-21(16-30)13-22(12-20)17-30/h7-9,14,18,20-22,26H,5-6,10-13,15-17H2,1-4H3,(H,32,37)(H2,31,33,36)