1-(4,6-dimethylpyrimidin-2-yl)-3-(2-methoxyphenyl)-2-(phenylmethyl)sulfonyl-guanidine

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(2-methoxyphenyl)-2-(phenylmethyl)sulfonyl-guanidine Openeye Name: 2-benzylsulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(2-methoxyphenyl)guanidine CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-3-(2-methoxyphenyl)-2-(phenylmethyl)sulfonylguanidine IUPAC Name: 2-benzylsulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(2-methoxyphenyl)guanidine Traditional Name: 2-benzylsulfonyl-1-(4,6-dimethylpyrimidin-2-yl)-3-(2-methoxyphenyl)guanidine Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NS(=O)(=O)CC2=CC=CC=C2)NC3=CC=CC=C3OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)N/C(=N/S(=O)(=O)CC2=CC=CC=C2)/NC3=CC=CC=C3OC)C

InChI

InChI=1S/C21H23N5O3S/c1-15-13-16(2)23-20(22-15)25-21(24-18-11-7-8-12-19(18)29-3)26-30(27,28)14-17-9-5-4-6-10-17/h4-13H,14H2,1-3H3,(H2,22,23,24,25,26)