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

Systemtic Name: 6-azanyl-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-1-methyl-5-piperidin-1-yl-pyrimidine-2,4-dione Openeye Name: 6-amino-3-[2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl]-1-methyl-5-(1-piperidyl)pyrimidine-2,4-dione CAS Name: 6-amino-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]-1-methyl-5-(1-piperidinyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-1-methyl-5-piperidin-1-ylpyrimidine-2,4-dione Traditional Name: 6-amino-3-[2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl]-1-methyl-5-piperidino-pyrimidine-2,4-quinone Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C(=O)C(=C(N(C3=O)C)N)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C(=O)C(=C(N(C3=O)C)N)N4CCCCC4

InChI

InChI=1S/C23H29N5O3S/c1-15-12-18(16(2)27(15)13-17-8-7-11-32-17)19(29)14-28-22(30)20(21(24)25(3)23(28)31)26-9-5-4-6-10-26/h7-8,11-12H,4-6,9-10,13-14,24H2,1-3H3