1-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]-3-phenyl-thiourea

Systemtic Name: 1-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]-3-phenyl-thiourea Openeye Name: 1-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]-3-phenyl-thiourea CAS Name: 1-[[3-(2,4-dimethyl-3-pyrimido[1,2-b]indazolyl)-1-oxopropyl]amino]-3-phenylthiourea IUPAC Name: 1-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]-3-phenylthiourea Traditional Name: 1-[3-(2,4-dimethylpyrimid[1,2-b]indazol-3-yl)propanoylamino]-3-phenyl-thiourea Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)NNC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)NNC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C22H22N6OS/c1-14-17(15(2)28-21(23-14)18-10-6-7-11-19(18)27-28)12-13-20(29)25-26-22(30)24-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,25,29)(H2,24,26,30)