1-butyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylamino)thiourea

Systemtic Name: 1-butyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylamino)thiourea Openeye Name: 1-butyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylamino)thiourea CAS Name: 1-butyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylamino)thiourea IUPAC Name: 1-butyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylamino)thiourea Traditional Name: 1-butyl-3-(5H-[1,2,4]triazin[5,6-b]indol-3-ylamino)thiourea Formula: C14H17N7S MolecularWeight: 315.39668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC1=NC2=C(C3=CC=CC=C3N2)N=N1

Isomeric SMILES

CCCCNC(=S)NNC1=NC2=C(C3=CC=CC=C3N2)N=N1

InChI

InChI=1S/C14H17N7S/c1-2-3-8-15-14(22)21-20-13-17-12-11(18-19-13)9-6-4-5-7-10(9)16-12/h4-7H,2-3,8H2,1H3,(H2,15,21,22)(H2,16,17,19,20)