1-[5-methyl-2-[(4-methylsulfonyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl)amino]-4-oxidanylidene-3,1-benzoxazin-6-yl]urea

Systemtic Name: 1-[5-methyl-2-[(4-methylsulfonyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl)amino]-4-oxidanylidene-3,1-benzoxazin-6-yl]urea Openeye Name: [5-methyl-2-[[3-methylsulfonyl-1-(pyrrolidine-1-carbonyl)propyl]amino]-4-oxo-3,1-benzoxazin-6-yl]urea CAS Name: [5-methyl-2-[[4-methylsulfonyl-1-oxo-1-(1-pyrrolidinyl)butan-2-yl]amino]-4-oxo-3,1-benzoxazin-6-yl]urea IUPAC Name: [5-methyl-2-[(4-methylsulfonyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)amino]-4-oxo-3,1-benzoxazin-6-yl]urea Traditional Name: [4-keto-2-[[3-mesyl-1-(pyrrolidine-1-carbonyl)propyl]amino]-5-methyl-3,1-benzoxazin-6-yl]urea Formula: C19H25N5O6S MolecularWeight: 451.4967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CCS(=O)(=O)C)C(=O)N3CCCC3)NC(=O)N

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CCS(=O)(=O)C)C(=O)N3CCCC3)NC(=O)N

InChI

InChI=1S/C19H25N5O6S/c1-11-12(21-18(20)27)5-6-13-15(11)17(26)30-19(22-13)23-14(7-10-31(2,28)29)16(25)24-8-3-4-9-24/h5-6,14H,3-4,7-10H2,1-2H3,(H,22,23)(H3,20,21,27)