7-[(2-azanyl-4-methylsulfonyl-phenyl)amino]-1-cyclopentyl-2-ethyl-4-methyl-pyrimido[5,4-e][1,2,4]triazin-3-one

Systemtic Name: 7-[(2-azanyl-4-methylsulfonyl-phenyl)amino]-1-cyclopentyl-2-ethyl-4-methyl-pyrimido[5,4-e][1,2,4]triazin-3-one Openeye Name: 7-(2-amino-4-methylsulfonyl-anilino)-1-cyclopentyl-2-ethyl-4-methyl-pyrimido[5,4-e][1,2,4]triazin-3-one CAS Name: 7-(2-amino-4-methylsulfonylanilino)-1-cyclopentyl-2-ethyl-4-methyl-3-pyrimido[5,4-e][1,2,4]triazinone IUPAC Name: 7-(2-amino-4-methylsulfonylanilino)-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one Traditional Name: 7-(2-amino-4-mesyl-anilino)-1-cyclopentyl-2-ethyl-4-methyl-pyrimido[5,4-e][1,2,4]triazin-3-one Formula: C20H27N7O3S MolecularWeight: 445.53848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)S(=O)(=O)C)N)C

Isomeric SMILES

CCN1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)S(=O)(=O)C)N)C

InChI

InChI=1S/C20H27N7O3S/c1-4-26-20(28)25(2)17-12-22-19(24-18(17)27(26)13-7-5-6-8-13)23-16-10-9-14(11-15(16)21)31(3,29)30/h9-13H,4-8,21H2,1-3H3,(H,22,23,24)