methyl 4-(2,1,3-benzoxadiazol-5-yl)-3-[[1-[[4-(dibutylamino)phenyl]methyl]piperidin-4-yl]methylcarbamoyl]-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-(2,1,3-benzoxadiazol-5-yl)-3-[[1-[[4-(dibutylamino)phenyl]methyl]piperidin-4-yl]methylcarbamoyl]-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-(2,1,3-benzoxadiazol-5-yl)-3-[[1-[[4-(dibutylamino)phenyl]methyl]-4-piperidyl]methylcarbamoyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2,1,3-benzoxadiazol-5-yl)-3-[[[1-[[4-(dibutylamino)phenyl]methyl]-4-piperidinyl]methylamino]-oxomethyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(2,1,3-benzoxadiazol-5-yl)-3-[[1-[[4-(dibutylamino)phenyl]methyl]piperidin-4-yl]methylcarbamoyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-benzofurazan-5-yl-3-[[1-[4-(dibutylamino)benzyl]-4-piperidyl]methylcarbamoyl]-2-keto-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C35H47N7O5 MolecularWeight: 645.79158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC=C(C=C1)CN2CCC(CC2)CNC(=O)N3C(C(=C(NC3=O)C)C(=O)OC)C4=CC5=NON=C5C=C4

Isomeric SMILES

CCCCN(CCCC)C1=CC=C(C=C1)CN2CCC(CC2)CNC(=O)N3C(C(=C(NC3=O)C)C(=O)OC)C4=CC5=NON=C5C=C4

InChI

InChI=1S/C35H47N7O5/c1-5-7-17-41(18-8-6-2)28-12-9-26(10-13-28)23-40-19-15-25(16-20-40)22-36-34(44)42-32(27-11-14-29-30(21-27)39-47-38-29)31(33(43)46-4)24(3)37-35(42)45/h9-14,21,25,32H,5-8,15-20,22-23H2,1-4H3,(H,36,44)(H,37,45)