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

Systemtic Name: propan-2-yl 6-[4-(1-adamantylcarbamoylamino)phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 6-[4-(1-adamantylcarbamoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(1-adamantylamino)-oxomethyl]amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[4-(1-adamantylcarbamoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(1-adamantylcarbamoylamino)phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C29H40N4O4 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N4O4/c1-5-10-33-18(4)24(26(34)37-17(2)3)25(31-28(33)36)22-6-8-23(9-7-22)30-27(35)32-29-14-19-11-20(15-29)13-21(12-19)16-29/h6-9,17,19-21,25H,5,10-16H2,1-4H3,(H,31,36)(H2,30,32,35)