1-[N-[(3S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-N'-methyl-carbamimidoyl]urea

Systemtic Name: 1-[N-[(3S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-N'-methyl-carbamimidoyl]urea Openeye Name: [N-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-N'-methyl-carbamimidoyl]urea CAS Name: [[[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-methyliminomethyl]urea IUPAC Name: [N-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N'-methylcarbamimidoyl]urea Traditional Name: [N-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-N'-methyl-amidino]urea Formula: C15H19N5O3 MolecularWeight: 317.34306

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=NC)NC(=O)N)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)NC(=NC)NC(=O)N)O)C

InChI

InChI=1S/C15H19N5O3/c1-15(2)12(21)11(19-14(18-3)20-13(17)22)9-6-8(7-16)4-5-10(9)23-15/h4-6,11-12,21H,1-3H3,(H4,17,18,19,20,22)/t11?,12-/m0/s1