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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(cyclohexylamino)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(cyclohexylamino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-[(cyclohexylamino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(cyclohexylamino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-[(cyclohexylamino)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CNC4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CNC4CCCCC4

InChI

InChI=1S/C21H27N3O5/c1-2-27-20(25)18-15(11-22-14-6-4-3-5-7-14)23-21(26)24-19(18)13-8-9-16-17(10-13)29-12-28-16/h8-10,14,19,22H,2-7,11-12H2,1H3,(H2,23,24,26)