4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-1,3,5-triazin-2-yl]-N-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-1,3,5-triazin-2-yl]-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-1,3,5-triazin-2-yl]-N-isopropyl-piperazine-1-carboxamide CAS Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-1,3,5-triazin-2-yl]-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-1,3,5-triazin-2-yl]-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-s-triazin-2-yl]-N-isopropyl-piperazine-1-carboxamide Formula: C27H33N9OS MolecularWeight: 531.67562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCC(C)C3=CC=CC=C3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CC(C)NC(=O)N1CCN(CC1)C2=NC(=NC(=N2)NCC(C)C3=CC=CC=C3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C27H33N9OS/c1-18(2)30-27(37)36-13-11-35(12-14-36)26-33-24(28-16-19(3)20-7-5-4-6-8-20)32-25(34-26)31-21-9-10-22-23(15-21)38-17-29-22/h4-10,15,17-19H,11-14,16H2,1-3H3,(H,30,37)(H2,28,31,32,33,34)