ethyl 2-oxidanylidene-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[(4-benzylpiperazin-1-yl)methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 2-oxo-4-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-prop-2-enyl-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzylpiperazin-1-yl)methyl]-2-oxo-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[(4-benzylpiperazino)methyl]-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CC=C)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CC=C)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3S/c1-3-11-30-22(18-29-14-12-28(13-15-29)17-20-8-6-5-7-9-20)23(25(31)33-4-2)24(27-26(30)32)21-10-16-34-19-21/h3,5-10,16,19,24H,1,4,11-15,17-18H2,2H3,(H,27,32)