1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]guanidine

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]guanidine Openeye Name: 2-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)guanidine CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]guanidine IUPAC Name: 2-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)guanidine Traditional Name: 2-(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)guanidine Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N=C(N)NC2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N=C(N)NC2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c1-13-16(11-14-5-3-2-4-6-14)19(27)25-21(23-13)26-20(22)24-15-7-8-17-18(12-15)29-10-9-28-17/h2-8,12H,9-11H2,1H3,(H4,22,23,24,25,26,27)