methyl 3-cyclopropyl-2-oxidanylidene-4-[[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-cyclopropyl-2-oxidanylidene-4-[[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-[[4-[2-(allylamino)-2-oxo-ethyl]piperazin-1-yl]methyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-cyclopropyl-2-oxo-4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1-piperazinyl]methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-cyclopropyl-2-oxo-4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-[2-(allylamino)-2-keto-ethyl]piperazino]methyl]-3-cyclopropyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CN4CCN(CC4)CC(=O)NCC=C

Isomeric SMILES

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)CN4CCN(CC4)CC(=O)NCC=C

InChI

InChI=1S/C25H33N5O4/c1-3-11-26-21(31)17-29-14-12-28(13-15-29)16-20-22(24(32)34-2)23(18-7-5-4-6-8-18)27-25(33)30(20)19-9-10-19/h3-8,19,23H,1,9-17H2,2H3,(H,26,31)(H,27,33)