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

Systemtic Name: ethyl 2-oxidanylidene-4-[[4-(propan-2-ylcarbamoyl)-1,4-diazepan-1-yl]methyl]-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-4-[[4-(isopropylcarbamoyl)-1,4-diazepan-1-yl]methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 2-oxo-4-[[4-[oxo-(propan-2-ylamino)methyl]-1,4-diazepan-1-yl]methyl]-3-prop-2-enyl-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-[[4-(propan-2-ylcarbamoyl)-1,4-diazepan-1-yl]methyl]-3-prop-2-enyl-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-4-[[4-(isopropylcarbamoyl)-1,4-diazepan-1-yl]methyl]-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H35N5O4S MolecularWeight: 489.6308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CC=C)CN3CCCN(CC3)C(=O)NC(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)CC=C)CN3CCCN(CC3)C(=O)NC(C)C

InChI

InChI=1S/C24H35N5O4S/c1-5-9-29-19(15-27-10-7-11-28(13-12-27)23(31)25-17(3)4)20(22(30)33-6-2)21(26-24(29)32)18-8-14-34-16-18/h5,8,14,16-17,21H,1,6-7,9-13,15H2,2-4H3,(H,25,31)(H,26,32)