N-cyclopentyl-5-oxidanylidene-8-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

Systemtic Name: N-cyclopentyl-5-oxidanylidene-8-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide Openeye Name: N-cyclopentyl-5-oxo-8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-thioxo-4H-thiazolo[3,4-a]quinazoline-3-carboxamide CAS Name: N-cyclopentyl-5-oxo-8-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-sulfanylidene-4H-thiazolo[3,4-a]quinazoline-3-carboxamide IUPAC Name: N-cyclopentyl-5-oxo-8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide Traditional Name: N-cyclopentyl-5-keto-8-[4-(2-pyrimidyl)piperazine-1-carbonyl]-1-thioxo-4H-thiazolo[3,4-a]quinazoline-3-carboxamide Formula: C25H25N7O3S2 MolecularWeight: 535.6411

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=C3NC(=O)C4=C(N3C(=S)S2)C=C(C=C4)C(=O)N5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

C1CCC(C1)NC(=O)C2=C3NC(=O)C4=C(N3C(=S)S2)C=C(C=C4)C(=O)N5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C25H25N7O3S2/c33-21-17-7-6-15(23(35)30-10-12-31(13-11-30)24-26-8-3-9-27-24)14-18(17)32-20(29-21)19(37-25(32)36)22(34)28-16-4-1-2-5-16/h3,6-9,14,16H,1-2,4-5,10-13H2,(H,28,34)(H,29,33)