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

Systemtic Name: N-[N-[(3S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-N'-methyl-carbamimidoyl]ethanamide Openeye Name: N-[N-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-N'-methyl-carbamimidoyl]acetamide CAS Name: N-[[[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]amino]-methyliminomethyl]acetamide IUPAC Name: N-[N-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N'-methylcarbamimidoyl]acetamide Traditional Name: N-[N-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-N'-methyl-amidino]acetamide Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=NC)NC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O

Isomeric SMILES

CC(=O)NC(=NC)NC1[C@@H](C(OC2=C1C=C(C=C2)C#N)(C)C)O

InChI

InChI=1S/C16H20N4O3/c1-9(21)19-15(18-4)20-13-11-7-10(8-17)5-6-12(11)23-16(2,3)14(13)22/h5-7,13-14,22H,1-4H3,(H2,18,19,20,21)/t13?,14-/m0/s1