3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one

Systemtic Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one Openeye Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one CAS Name: 3-(2,4-dimethyl-3-pyrimido[1,2-b]indazolyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-1-propanone IUPAC Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one Traditional Name: 3-(2,4-dimethylpyrimid[1,2-b]indazol-3-yl)-1-(4-mesyl-1,4-diazepan-1-yl)propan-1-one Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)N4CCCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)N4CCCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C21H27N5O3S/c1-15-17(16(2)26-21(22-15)18-7-4-5-8-19(18)23-26)9-10-20(27)24-11-6-12-25(14-13-24)30(3,28)29/h4-5,7-8H,6,9-14H2,1-3H3