ethyl (4S)-6-[(1-adamantylmethylamino)methyl]-4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(1-adamantylmethylamino)methyl]-4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(1-adamantylmethylamino)methyl]-4-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(1-adamantylmethylamino)methyl]-4-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(1-adamantylmethylamino)methyl]-4-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(1-adamantylmethylamino)methyl]-4-(1,3-benzodioxol-5-yl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CNCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC3=C(C=C2)OCO3)CNCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H33N3O5/c1-2-32-24(30)22-19(12-27-13-26-9-15-5-16(10-26)7-17(6-15)11-26)28-25(31)29-23(22)18-3-4-20-21(8-18)34-14-33-20/h3-4,8,15-17,23,27H,2,5-7,9-14H2,1H3,(H2,28,29,31)/t15?,16?,17?,23-,26?/m0/s1