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

Systemtic Name: methyl 6-[3-(butylcarbamoylamino)phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-[3-(butylcarbamoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[butylamino(oxo)methyl]amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[3-(butylcarbamoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(butylcarbamoylamino)phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CCC)C)C(=O)OC

Isomeric SMILES

CCCCNC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CCC)C)C(=O)OC

InChI

InChI=1S/C21H30N4O4/c1-5-7-11-22-20(27)23-16-10-8-9-15(13-16)18-17(19(26)29-4)14(3)25(12-6-2)21(28)24-18/h8-10,13,18H,5-7,11-12H2,1-4H3,(H,24,28)(H2,22,23,27)