2-[[3-(pyrimidin-2-ylamino)propylamino]methyl]-3,4-dihydro-2H-chromene-6-carbonitrile dihydrochloride

Systemtic Name: 2-[[3-(pyrimidin-2-ylamino)propylamino]methyl]-3,4-dihydro-2H-chromene-6-carbonitrile dihydrochloride Openeye Name: 2-[[3-(pyrimidin-2-ylamino)propylamino]methyl]chromane-6-carbonitrile dihydrochloride CAS Name: 2-[[3-(2-pyrimidinylamino)propylamino]methyl]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile dihydrochloride IUPAC Name: 2-[[3-(pyrimidin-2-ylamino)propylamino]methyl]-3,4-dihydro-2H-chromene-6-carbonitrile dihydrochloride Traditional Name: 2-[[3-(2-pyrimidylamino)propylamino]methyl]chroman-6-carbonitrile dihydrochloride Formula: C18H23Cl2N5O MolecularWeight: 396.31412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C#N)OC1CNCCCNC3=NC=CC=N3.Cl.Cl

Isomeric SMILES

C1CC2=C(C=CC(=C2)C#N)OC1CNCCCNC3=NC=CC=N3.Cl.Cl

InChI

InChI=1S/C18H21N5O.2ClH/c19-12-14-3-6-17-15(11-14)4-5-16(24-17)13-20-7-1-8-21-18-22-9-2-10-23-18;;/h2-3,6,9-11,16,20H,1,4-5,7-8,13H2,(H,21,22,23);2*1H