1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]guanidine

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]guanidine Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-oxo-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-2-yl]guanidine CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-[[(4-methylphenyl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]guanidine IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]guanidine Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-keto-6-[(p-tolylthio)methyl]-1H-pyrimidin-2-yl]guanidine Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)N=C(N)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)/N=C(\N)/NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N5O3S/c1-13-2-5-16(6-3-13)30-12-15-11-19(27)25-21(24-15)26-20(22)23-14-4-7-17-18(10-14)29-9-8-28-17/h2-7,10-11H,8-9,12H2,1H3,(H4,22,23,24,25,26,27)