1-[6-azanyl-2-(dimethoxymethyl)-2-methyl-3-oxidanyl-3,4-dihydrochromen-5-yl]-3-cyano-2-(phenylmethyl)guanidine

Systemtic Name: 1-[6-azanyl-2-(dimethoxymethyl)-2-methyl-3-oxidanyl-3,4-dihydrochromen-5-yl]-3-cyano-2-(phenylmethyl)guanidine Openeye Name: 1-[6-amino-2-(dimethoxymethyl)-3-hydroxy-2-methyl-chroman-5-yl]-2-benzyl-3-cyano-guanidine CAS Name: 1-[6-amino-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydro-2H-1-benzopyran-5-yl]-3-cyano-2-(phenylmethyl)guanidine IUPAC Name: 1-[6-amino-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydrochromen-5-yl]-2-benzyl-3-cyanoguanidine Traditional Name: 1-[6-amino-2-(dimethoxymethyl)-3-hydroxy-2-methyl-chroman-5-yl]-2-benzyl-3-cyano-guanidine Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2=C(O1)C=CC(=C2NC(=NCC3=CC=CC=C3)NC#N)N)O)C(OC)OC

Isomeric SMILES

CC1(C(CC2=C(O1)C=CC(=C2NC(=NCC3=CC=CC=C3)NC#N)N)O)C(OC)OC

InChI

InChI=1S/C22H27N5O4/c1-22(20(29-2)30-3)18(28)11-15-17(31-22)10-9-16(24)19(15)27-21(26-13-23)25-12-14-7-5-4-6-8-14/h4-10,18,20,28H,11-12,24H2,1-3H3,(H2,25,26,27)