6-azanyl-1-methyl-3-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-5-piperidin-1-yl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-methyl-3-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-5-piperidin-1-yl-pyrimidine-2,4-dione Openeye Name: 6-amino-1-methyl-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-5-(1-piperidyl)pyrimidine-2,4-dione CAS Name: 6-amino-1-methyl-3-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-5-(1-piperidinyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-methyl-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-5-piperidin-1-ylpyrimidine-2,4-dione Traditional Name: 6-amino-3-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-1-methyl-5-piperidino-pyrimidine-2,4-quinone Formula: C21H28N6O4S MolecularWeight: 460.54982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)N4CCCCC4)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)N4CCCCC4)N

InChI

InChI=1S/C21H28N6O4S/c1-23-18(22)17(25-7-3-2-4-8-25)20(30)27(21(23)31)14-16(28)24-9-11-26(12-10-24)19(29)15-6-5-13-32-15/h5-6,13H,2-4,7-12,14,22H2,1H3