4-[4-(4-methoxy-2,3-dimethyl-phenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxy-pyrimidine

Systemtic Name: 4-[4-(4-methoxy-2,3-dimethyl-phenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxy-pyrimidine Openeye Name: 4-[4-(4-methoxy-2,3-dimethyl-phenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxy-pyrimidine CAS Name: 4-[4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-1-piperazinyl]-2-methyl-6-propoxypyrimidine IUPAC Name: 4-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propoxypyrimidine Traditional Name: 4-[4-(4-methoxy-2,3-dimethyl-phenyl)sulfonylpiperazino]-2-methyl-6-propoxy-pyrimidine Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)C3=C(C(=C(C=C3)OC)C)C)C

Isomeric SMILES

CCCOC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)C3=C(C(=C(C=C3)OC)C)C)C

InChI

InChI=1S/C21H30N4O4S/c1-6-13-29-21-14-20(22-17(4)23-21)24-9-11-25(12-10-24)30(26,27)19-8-7-18(28-5)15(2)16(19)3/h7-8,14H,6,9-13H2,1-5H3