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

Systemtic Name: 1-[6-azanyl-2-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methyl-3-oxidanyl-3,4-dihydrochromen-5-yl]-3-cyano-2-(phenylmethyl)guanidine Openeye Name: 1-[6-amino-2-(5,5-dimethyl-1,3-dioxan-2-yl)-3-hydroxy-2-methyl-chroman-5-yl]-2-benzyl-3-cyano-guanidine CAS Name: 1-[6-amino-2-(5,5-dimethyl-1,3-dioxan-2-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-1-benzopyran-5-yl]-3-cyano-2-(phenylmethyl)guanidine IUPAC Name: 1-[6-amino-2-(5,5-dimethyl-1,3-dioxan-2-yl)-3-hydroxy-2-methyl-3,4-dihydrochromen-5-yl]-2-benzyl-3-cyanoguanidine Traditional Name: 1-[6-amino-2-(5,5-dimethyl-1,3-dioxan-2-yl)-3-hydroxy-2-methyl-chroman-5-yl]-2-benzyl-3-cyano-guanidine Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2(C(CC3=C(O2)C=CC(=C3NC(=NCC4=CC=CC=C4)NC#N)N)O)C)C

Isomeric SMILES

CC1(COC(OC1)C2(C(CC3=C(O2)C=CC(=C3NC(=NCC4=CC=CC=C4)NC#N)N)O)C)C

InChI

InChI=1S/C25H31N5O4/c1-24(2)13-32-22(33-14-24)25(3)20(31)11-17-19(34-25)10-9-18(27)21(17)30-23(29-15-26)28-12-16-7-5-4-6-8-16/h4-10,20,22,31H,11-14,27H2,1-3H3,(H2,28,29,30)