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

Systemtic Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-1,3,5-triazin-2-yl]-N-ethyl-piperazine-1-carboxamide Openeye Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-1,3,5-triazin-2-yl]-N-ethyl-piperazine-1-carboxamide CAS Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-1,3,5-triazin-2-yl]-N-ethyl-1-piperazinecarboxamide IUPAC Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-1,3,5-triazin-2-yl]-N-ethylpiperazine-1-carboxamide Traditional Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-(2-phenylpropylamino)-s-triazin-2-yl]-N-ethyl-piperazine-1-carboxamide Formula: C26H31N9OS MolecularWeight: 517.64904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N9OS/c1-3-27-26(36)35-13-11-34(12-14-35)25-32-23(28-16-18(2)19-7-5-4-6-8-19)31-24(33-25)30-20-9-10-21-22(15-20)37-17-29-21/h4-10,15,17-18H,3,11-14,16H2,1-2H3,(H,27,36)(H2,28,30,31,32,33)